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1. NWChem: Past, Present, and Future

Author

Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning Jr., T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früuchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., del Campo, J. Martin, Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., de la Roza, A. Otero, Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., and Harrison, R. J.

Subjects
Physics - Chemical Physics, Physics - Computational Physics
Abstract

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principledriven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook., Comment: This article appeared in volume 152, issue 18, page 184102 of the Journal of Chemical Physics. It can be found at https://doi.org/10.1063/5.0004997

Published
2020
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4. \emph{In-situ} determination of astro-comb calibrator lines to better than 10 cm s$^{-1}$

Author

Li, C. -H., Glenday, A., Benedick, A. J., Chang, G., Chen, L. -J., Cramer, C., Fendel, P., Furesz, G., Kärtner, F., Korzennik, S., Phillips, D., Sasselov, D., Szentgyorgyi, A., and Walsworth, R.

Subjects
Astrophysics - Instrumentation and Methods for Astrophysics, Physics - Instrumentation and Detectors, Physics - Optics
Abstract

Improved wavelength calibrators for high-resolution astrophysical spectrographs will be essential for precision radial velocity (RV) detection of Earth-like exoplanets and direct observation of cosmological deceleration. The astro-comb is a combination of an octave-spanning femtosecond laser frequency comb and a Fabry-P\'erot cavity used to achieve calibrator line spacings that can be resolved by an astrophysical spectrograph. Systematic spectral shifts associated with the cavity can be 0.1-1 MHz, corresponding to RV errors of 10-100 cm/s, due to the dispersive properties of the cavity mirrors over broad spectral widths. Although these systematic shifts are very stable, their correction is crucial to high accuracy astrophysical spectroscopy. Here, we demonstrate an \emph{in-situ} technique to determine the systematic shifts of astro-comb lines due to finite Fabry-P\'erot cavity dispersion. The technique is practical for implementation at a telescope-based spectrograph to enable wavelength calibration accuracy better than 10 cm/s., Comment: 11 pages, 7 figures

Published
2010
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5. Preferred-Frame and CP-Violation Tests with Polarized Electrons

Author

Heckel, B. R., Adelberger, E. G., Cramer, C. E., Cook, T. S., Schlamminger, S., and Schmidt, U.

Subjects
High Energy Physics - Experiment
Abstract

We used a torsion pendulum containing $\approx 10^{23}$ polarized electrons to search new interactions that couple to electron spin. We limit CP-violating interactions between the pendulum's electrons and unpolarized matter in the earth or the sun, test for rotation and boost-dependent preferred-frame effects using the earth's rotation and velocity with respect to the entire cosmos, and search for exotic velocity-dependent potentials between polarized electrons and unpolarized matter in the sun and moon. Finally, we find that the gravitational mass of an electron spinning toward the galactic center differs by less than about 1 part in $10^{21}$ from an electron spinning in the opposite direction. As a byproduct of this work, the density of polarized electrons in Sm$ $Co$_5$ was measured to be $(4.19\pm 0.19)\times 10^{22} {\rm cm}^{-3}$ at a field of 9.6 kG., Comment: 54 pages, 18 figures, Submitted to PRD

Published
2008
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6. New CP-violation and preferred-frame tests with polarized electrons

Author

Heckel, B. R., Cramer, C. E., Cook, T. S., Adelberger, E. G., Schlamminger, S., and Schmidt, U.

Subjects
High Energy Physics - Phenomenology
Abstract

We used a torsion pendulum containing $\sim 9 \times 10^{22}$ polarized electrons to search for CP-violating interactions between the pendulum's electrons and unpolarized matter in the laboratory's surroundings or the sun, and to test for preferred-frame effects that would precess the electrons about a direction fixed in inertial space. We find $|g_{\rm P}^e g_{\rm S}^N|/(\hbar c)< 1.7 \times 10^{-36}$ and $|g_{\rm A}^e g_{\rm V}^N|/(\hbar c) < 4.8 \times 10^{-56}$ for $\lambda > 1$AU. Our preferred-frame constraints, interpreted in the Kosteleck\'y framework, set an upper limit on the parameter $|\bm{\tilde {b}}^e| \leq 5.0 \times 10^{-21}$ eV that should be compared to the benchmark value $m_e^2/M_{\rm Planck}= 2 \times 10^{-17}$ eV., Comment: 4 figures, accepted for publication in Physical Review Letters

Published
2006
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8. Relationship between the Clinical Frailty Scale and short-term mortality in patients ≥ 80 years old acutely admitted to the ICU: a prospective cohort study

Author

Fronczek, J, Polok, K, de Lange, D, Jung, C, Beil, M, Rhodes, A, Fjolner, J, Gorka, J, Andersen, F, Artigas, A, Cecconi, M, Christensen, S, Joannidis, M, Leaver, S, Marsh, B, Morandi, A, Moreno, R, Oeyen, S, Agvald-Ohman, C, Bollen Pinto, B, Schefold, J, Valentin, A, Walther, S, Watson, X, Zafeiridis, T, Sviri, S, van Heerden, P, Flaatten, H, Guidet, B, Szczeklik, W, Schmutz, R, Wimmer, F, Eller, P, De Buysscher, P, De Neve, N, Swinnen, W, Abraham, P, Hergafi, L, Biskup, E, Piza, P, Taliadoros, I, Dey, N, Solling, C, Rasmussen, B, Forceville, X, Besch, G, Mentec, H, Michel, P, Mateu, P, Vettoretti, L, Bourenne, J, Marin, N, Guillot, M, Aissaoui, N, Goulenok, C, Thieulot-Rolin, N, Messika, J, Lamhaut, L, Charron, C, Lauten, A, Sacher, A, Brenner, T, Franz, M, Bloos, F, Ebelt, H, Schaller, S, Fuest, K, Rabe, C, Dieck, T, Steiner, S, Graf, T, Nia, A, Janosi, R, Meybohm, P, Simon, P, Utzolino, S, Rahmel, T, Barth, E, Schuster, M, Aidoni, Z, Aloizos, S, Tasioudis, P, Lampiri, K, Zisopoulou, V, Ravani, I, Pagaki, E, Antoniou, A, Katsoulas, T, Kounougeri, A, Marinakis, G, Tsimpoukas, F, Spyropoulou, A, Zygoulis, P, Kyparissi, A, Gupta, M, Gurjar, M, Maji, I, Hayes, I, Kelly, Y, Westbrook, A, Fitzpatrick, G, Maheshwari, D, Motherway, C, Negri, G, Spadaro, S, Nattino, G, Pedeferri, M, Boscolo, A, Rossi, S, Calicchio, G, Cubattoli, L, Di Lascio, G, Barbagallo, M, Berruto, F, Codazzi, D, Bottazzi, A, Fumagalli, P, Negro, G, Lupi, G, Savelli, F, Vulcano, G, Fumagalli, R, Marudi, A, Lefons, U, Lembo, R, Babini, M, Paggioro, A, Parrini, V, Zaccaria, M, Clementi, S, Gigliuto, C, Facondini, F, Pastorini, S, Munaron, S, Calamai, I, Bocchi, A, Adorni, A, Bocci, M, Cortegiani, A, Casalicchio, T, Mellea, S, Graziani, E, Barattini, M, Brizio, E, Rossi, M, Hahn, M, Kemmerer, N, Strietzel, H, Dybwik, K, Legernaes, T, Klepstad, P, Olaussen, E, Olsen, K, Brresen, O, Bjorsvik, G, Maini, S, Fehrle, L, Czuczwar, M, Krawczyk, P, Zietkiewicz, M, Nowak, L, Kotfis, K, Cwyl, K, Gajdosz, R, Biernawska, J, Bohatyrewicz, R, Gawda, R, Grudzien, P, Nasilowski, P, Popek, N, Cyrankiewicz, W, Wawrzyniak, K, Wnuk, M, Maciejewski, D, Studzinska, D, Zukowski, M, Bernas, S, Piechota, M, Nowak-Kozka, I, Serwa, M, Machala, W, Stefaniak, J, Wujtewicz, M, Maciejewski, P, Szymkowiak, M, Adamik, B, Catorze, N, Branco, M, Barros, N, Barros, I, Krystopchuk, A, Honrado, T, Sousa, C, Munoz, F, Rebelo, M, Gomes, R, Nunes, J, Dias, C, Fernandes, A, Petrisor, C, Constantin, B, Belskiy, V, Boskholov, B, Rodriguez, E, Aguilar, G, Masdeu, G, Jaimes, M, Mira, A, Bodi, M, Mendoza, J, Lopez-Cuenca, S, Guzman, M, Rico-Feijoo, J, Ibarz, M, Alvarez, J, Kawati, R, Sivik, J, Nauska, J, Smole, D, Parenmark, F, Lyren, J, Rockstroh, K, Ryden, S, Spangfors, M, Strinnholm, M, De Geer, L, Nordlund, P, Palsson, S, Zetterquist, H, Nilsson, A, Thiringer, K, Jungner, M, Bark, B, Nordling, B, Skold, H, Brorsson, C, Persson, S, Bergstrom, A, Berkius, J, Holmstrom, J, van Dijk, I, van Lelyveld-Haas, L, Jansen, T, Nooteboom, F, van der Voort, P, Dieperink, W, de Waard, M, de Smet, A, Bormans, L, Dormans, T, Dempsey, G, Mathew, S, Raj, A, Grecu, I, Cupitt, J, Lawton, T, Clark, R, Popescu, M, Spittle, N, Faulkner, M, Cowton, A, Williams, P, Elloway, E, Reay, M, Chukkambotla, S, Kumar, R, Al-Subaie, N, Kent, L, Tamm, T, Kajtor, I, Burns, K, Pugh, R, Ostermann, M, Kam, E, Bowyer, H, Smith, N, Templeton, M, Henning, J, Goffin, K, Kapoor, R, Laha, S, Chilton, P, Khaliq, W, Crayford, A, Coetzee, S, Tait, M, Stoker, W, Gimenez, M, Pope, A, Camsooksai, J, Pogson, D, Quigley, K, Ritzema, J, Hormis, A, Boulanger, C, Balasubramaniam, M, Vamplew, L, Burt, K, Martin, D, Craig, J, Prowle, J, Doyle, N, Shelton, J, Scott, C, Donnison, P, Shelton, S, Frey, C, Ryan, C, Spray, D, Barnes, V, Barnes, K, Ridgway, S, Saha, R, Clark, T, Wood, J, Bolger, C, Bassford, C, Lewandowski, J, Zhao, X, Humphreys, S, Dowling, S, Richardson, N, Burtenshaw, A, Stevenson, C, Wilcock, D, Nalapko, Y, Helbok, R, Nollet, J, de Neve, N, Mikacic, M, Bastiansen, A, Husted, A, Dahle, B, Cramer, C, Orsnes, D, Thomsen, J, Pedersen, J, Enevoldsen, M, Elkmann, T, Kubisz-Pudelko, A, Collins, A, Hart, C, Randell, G, Filipe, H, Welters, I, Evans, J, Lord, J, Jones, J, Ball, J, North, J, Salaunkey, K, De Gordoa, L, Bell, L, Vizcaychipi, M, Mupudzi, M, Lea-Hagerty, M, Spivey, M, Love, N, White, N, Morgan, P, Wakefield, P, Savine, R, Jacob, R, Innes, R, Rose, S, Mane, T, Ogbeide, V, Baird, Y, Romen, A, Galbois, A, Vinsonneau, C, Thevenin, D, Guerot, E, Savary, G, Chagnon, J, Rigaud, J, Quenot, J, Castaneray, J, Rosman, J, Maizel, J, Tiercelet, K, Hovaere, M, Messika, M, Djibre, M, Rolin, N, Burtin, P, Garcon, P, Nseir, S, Valette, X, Horacek, M, Bruno, R, Allgauer, S, Dubler, S, Schering, S, Koutsikou, A, Vakalos, A, Raitsiou, B, Flioni, E, Neou, E, Papathanakos, G, Koutsodimitropoulos, I, Aikaterini, K, Rovina, N, Kourelea, S, Polychronis, T, Zidianakis, V, Konstantinia, V, Read, C, Martin-Loeches, I, Cracchiolo, A, Morigi, A, Brusa, S, Elhadi, A, Tarek, A, Khaled, A, Ahmed, H, Belkhair, W, Cornet, A, Gommers, D, van Boven, E, Haringman, J, Haas, L, van den Berg, L, Hoiting, O, de Jager, P, Gerritsen, R, Breidablik, A, Slapgard, A, Rime, A, Jannestad, B, Sjoboe, B, Rice, E, Jensen, J, Langorgen, J, Toien, K, Strand, K, Biernacka, A, Kluzik, A, Kudlinski, B, Hymczak, H, Solek-Pastuszka, J, Zorska, J, Krzych, L, Lipinska-Gediga, M, Pietruszko, M, Kozera, N, Sendur, P, Zatorski, P, Galkin, P, Kosciuczuk, U, Gola, W, Pinto, A, Santos, A, Ferreira, I, Blanco, J, Carvalho, J, Maia, J, Candeias, N, Lores, A, Cilloniz, C, Perez-Torres, D, Maseda, E, Prol-Silva, E, Eixarch, G, Goma, G, Velasco, G, Villamayor, M, Fernandez, N, Cubero, P, Tomasa, T, Sjoqvist, A, Schioler, F, Westberg, H, Boroli, F, Eckert, P, Yildiz, I, Yovenko, I, Fronczek J., Polok K., de Lange D. W., Jung C., Beil M., Rhodes A., Fjolner J., Gorka J., Andersen F. H., Artigas A., Cecconi M., Christensen S., Joannidis M., Leaver S., Marsh B., Morandi A., Moreno R., Oeyen S., Agvald-Ohman C., Bollen Pinto B., Schefold J. C., Valentin A., Walther S., Watson X., Zafeiridis T., Sviri S., van Heerden P. V., Flaatten H., Guidet B., Szczeklik W., Schmutz R., Wimmer F., Eller P., De Buysscher P., De Neve N., Swinnen W., Abraham P., Hergafi L., Biskup E., Piza P., Taliadoros I., Dey N., Solling C., Rasmussen B. S., Forceville X., Besch G., Mentec H., Michel P., Mateu P., Vettoretti L., Bourenne J., Marin N., Guillot M., Aissaoui N., Goulenok C., Thieulot-Rolin N., Messika J., Lamhaut L., Charron C., Lauten A., Sacher A. L., Brenner T., Franz M., Bloos F., Ebelt H., Schaller S. J., Fuest K., Rabe C., Dieck T., Steiner S., Graf T., Nia A. M., Janosi R. A., Meybohm P., Simon P., Utzolino S., Rahmel T., Barth E., Schuster M., Aidoni Z., Aloizos S., Tasioudis P., Lampiri K., Zisopoulou V., Ravani I., Pagaki E., Antoniou A., Katsoulas T. A., Kounougeri A., Marinakis G., Tsimpoukas F., Spyropoulou A., Zygoulis P., Kyparissi A., Gupta M., Gurjar M., Maji I. M., Hayes I., Kelly Y., Westbrook A., Fitzpatrick G., Maheshwari D., Motherway C., Negri G., Spadaro S., Nattino G., Pedeferri M., Boscolo A., Rossi S., Calicchio G., Cubattoli L., Di Lascio G., Barbagallo M., Berruto F., Codazzi D., Bottazzi A., Fumagalli P., Negro G., Lupi G., Savelli F., Vulcano G. A., Fumagalli R., Marudi A., Lefons U., Lembo R., Babini M., Paggioro A., Parrini V., Zaccaria M., Clementi S., Gigliuto C., Facondini F., Pastorini S., Munaron S., Calamai I., Bocchi A., Adorni A., Bocci M. G., Cortegiani A., Casalicchio T., Mellea S., Graziani E., Barattini M., Brizio E., Rossi M., Hahn M., Kemmerer N., Strietzel H. F., Dybwik K., Legernaes T., Klepstad P., Olaussen E. B., Olsen K. I., Brresen O. M., Bjorsvik G., Maini S., Fehrle L., Czuczwar M., Krawczyk P., Zietkiewicz M., Nowak L. R., Kotfis K., Cwyl K., Gajdosz R., Biernawska J., Bohatyrewicz R., Gawda R., Grudzien P., Nasilowski P., Popek N., Cyrankiewicz W., Wawrzyniak K., Wnuk M., Maciejewski D., Studzinska D., Zukowski M., Bernas S., Piechota M., Nowak-Kozka I., Serwa M., Machala W., Stefaniak J., Wujtewicz M., Maciejewski P., Szymkowiak M., Adamik B., Catorze N., Branco M. C., Barros N., Barros I., Krystopchuk A., Honrado T., Sousa C., Munoz F., Rebelo M., Gomes R., Nunes J., Dias C., Fernandes A. M., Petrisor C., Constantin B., Belskiy V., Boskholov B., Rodriguez E., Aguilar G., Masdeu G., Jaimes M. I., Mira A. P., Bodi M. A., Mendoza J. A. B., Lopez-Cuenca S., Guzman M. H., Rico-Feijoo J., Ibarz M., Alvarez J. T., Kawati R., Sivik J., Nauska J., Smole D., Parenmark F., Lyren J., Rockstroh K., Ryden S., Spangfors M., Strinnholm M., De Geer L., Nordlund P., Palsson S., Zetterquist H., Nilsson A., Thiringer K., Jungner M., Bark B., Nordling B., Skold H., Brorsson C., Persson S., Bergstrom A., Berkius J., Holmstrom J., van Dijk I., van Lelyveld-Haas L. E. M., Jansen T., Nooteboom F., van der Voort P. H. J., de Lange D., Dieperink W., de Waard M. C., de Smet A. G. E., Bormans L., Dormans T., Dempsey G., Mathew S. J., Raj A. S., Grecu I., Cupitt J., Lawton T., Clark R., Popescu M., Spittle N., Faulkner M., Cowton A., Williams P., Elloway E., Reay M., Chukkambotla S., Kumar R., Al-Subaie N., Kent L., Tamm T., Kajtor I., Burns K., Pugh R., Ostermann M., Kam E., Bowyer H., Smith N., Templeton M., Henning J., Goffin K., Kapoor R., Laha S., Chilton P., Khaliq W., Crayford A., Coetzee S., Tait M., Stoker W., Gimenez M., Pope A., Camsooksai J., Pogson D., Quigley K., Ritzema J., Hormis A., Boulanger C., Balasubramaniam M., Vamplew L., Burt K., Martin D., Craig J., Prowle J., Doyle N., Shelton J., Scott C., Donnison P., Shelton S., Frey C., Ryan C., Spray D., Barnes V., Barnes K., Ridgway S., Saha R., Clark T., Wood J., Bolger C., Bassford C., Lewandowski J., Zhao X., Humphreys S., Dowling S., Richardson N., Burtenshaw A., Stevenson C., Wilcock D., Nalapko Y., Helbok R., Nollet J., de Neve N., Mikacic M., Bastiansen A., Husted A., Dahle B. E. S., Cramer C., Orsnes D., Thomsen J. E., Pedersen J. J., Enevoldsen M. H., Elkmann T., Kubisz-Pudelko A., Collins A., Hart C., Randell G., Filipe H., Welters I. D., Evans J., Lord J., Jones J., Ball J., North J., Salaunkey K., De Gordoa L. O. -R., Bell L., Vizcaychipi M., Mupudzi M., Lea-Hagerty M., Spivey M., Love N., White N., Morgan P., Wakefield P., Savine R., Jacob R., Innes R., Rose S., Mane T., Ogbeide V., Baird Y., Romen A., Galbois A., Vinsonneau C., Thevenin D., Guerot E., Savary G., Chagnon J. L., Rigaud J. P., Quenot J. P., Castaneray J., Rosman J., Maizel J., Tiercelet K., Hovaere M. M., Messika M., Djibre M., Rolin N., Burtin P., Garcon P., Nseir S., Valette X., Horacek M., Bruno R. R., Allgauer S., Dubler S., Schering S., Koutsikou A., Vakalos A., Raitsiou B., Flioni E. N., Neou E., Papathanakos G., Koutsodimitropoulos I., Aikaterini K., Rovina N., Kourelea S., Polychronis T., Zidianakis V., Konstantinia V., Read C., Martin-Loeches I., Cracchiolo A. N., Morigi A., Brusa S., Elhadi A., Tarek A., Khaled A., Ahmed H., Belkhair W. A., Cornet A. D., Gommers D., van Boven E., Haringman J., Haas L., van den Berg L., Hoiting O., de Jager P., Gerritsen R. T., Breidablik A., Slapgard A., Rime A. K., Jannestad B., Sjoboe B., Rice E., Jensen J. P., Langorgen J., Toien K., Strand K., Biernacka A., Kluzik A., Kudlinski B., Hymczak H., Solek-Pastuszka J., Zorska J., Krzych L. J., Lipinska-Gediga M., Pietruszko M., Kozera N., Sendur P., Zatorski P., Galkin P., Kosciuczuk U., Gola W., Pinto A. F., Santos A. R., Ferreira I. A., Blanco J. B., Carvalho J. T., Maia J., Candeias N., Lores A., Cilloniz C., Perez-Torres D., Maseda E., Prol-Silva E., Eixarch G., Goma G., Velasco G. N., Villamayor M. I., Fernandez N. L., Cubero P. J., Tomasa T., Sjoqvist A., Schioler F., Westberg H., Thiringer K. K., Boroli F., Eckert P., Yildiz I., Yovenko I., Fronczek, J, Polok, K, de Lange, D, Jung, C, Beil, M, Rhodes, A, Fjolner, J, Gorka, J, Andersen, F, Artigas, A, Cecconi, M, Christensen, S, Joannidis, M, Leaver, S, Marsh, B, Morandi, A, Moreno, R, Oeyen, S, Agvald-Ohman, C, Bollen Pinto, B, Schefold, J, Valentin, A, Walther, S, Watson, X, Zafeiridis, T, Sviri, S, van Heerden, P, Flaatten, H, Guidet, B, Szczeklik, W, Schmutz, R, Wimmer, F, Eller, P, De Buysscher, P, De Neve, N, Swinnen, W, Abraham, P, Hergafi, L, Biskup, E, Piza, P, Taliadoros, I, Dey, N, Solling, C, Rasmussen, B, Forceville, X, Besch, G, Mentec, H, Michel, P, Mateu, P, Vettoretti, L, Bourenne, J, Marin, N, Guillot, M, Aissaoui, N, Goulenok, C, Thieulot-Rolin, N, Messika, J, Lamhaut, L, Charron, C, Lauten, A, Sacher, A, Brenner, T, Franz, M, Bloos, F, Ebelt, H, Schaller, S, Fuest, K, Rabe, C, Dieck, T, Steiner, S, Graf, T, Nia, A, Janosi, R, Meybohm, P, Simon, P, Utzolino, S, Rahmel, T, Barth, E, Schuster, M, Aidoni, Z, Aloizos, S, Tasioudis, P, Lampiri, K, Zisopoulou, V, Ravani, I, Pagaki, E, Antoniou, A, Katsoulas, T, Kounougeri, A, Marinakis, G, Tsimpoukas, F, Spyropoulou, A, Zygoulis, P, Kyparissi, A, Gupta, M, Gurjar, M, Maji, I, Hayes, I, Kelly, Y, Westbrook, A, Fitzpatrick, G, Maheshwari, D, Motherway, C, Negri, G, Spadaro, S, Nattino, G, Pedeferri, M, Boscolo, A, Rossi, S, Calicchio, G, Cubattoli, L, Di Lascio, G, Barbagallo, M, Berruto, F, Codazzi, D, Bottazzi, A, Fumagalli, P, Negro, G, Lupi, G, Savelli, F, Vulcano, G, Fumagalli, R, Marudi, A, Lefons, U, Lembo, R, Babini, M, Paggioro, A, Parrini, V, Zaccaria, M, Clementi, S, Gigliuto, C, Facondini, F, Pastorini, S, Munaron, S, Calamai, I, Bocchi, A, Adorni, A, Bocci, M, Cortegiani, A, Casalicchio, T, Mellea, S, Graziani, E, Barattini, M, Brizio, E, Rossi, M, Hahn, M, Kemmerer, N, Strietzel, H, Dybwik, K, Legernaes, T, Klepstad, P, Olaussen, E, Olsen, K, Brresen, O, Bjorsvik, G, Maini, S, Fehrle, L, Czuczwar, M, Krawczyk, P, Zietkiewicz, M, Nowak, L, Kotfis, K, Cwyl, K, Gajdosz, R, Biernawska, J, Bohatyrewicz, R, Gawda, R, Grudzien, P, Nasilowski, P, Popek, N, Cyrankiewicz, W, Wawrzyniak, K, Wnuk, M, Maciejewski, D, Studzinska, D, Zukowski, M, Bernas, S, Piechota, M, Nowak-Kozka, I, Serwa, M, Machala, W, Stefaniak, J, Wujtewicz, M, Maciejewski, P, Szymkowiak, M, Adamik, B, Catorze, N, Branco, M, Barros, N, Barros, I, Krystopchuk, A, Honrado, T, Sousa, C, Munoz, F, Rebelo, M, Gomes, R, Nunes, J, Dias, C, Fernandes, A, Petrisor, C, Constantin, B, Belskiy, V, Boskholov, B, Rodriguez, E, Aguilar, G, Masdeu, G, Jaimes, M, Mira, A, Bodi, M, Mendoza, J, Lopez-Cuenca, S, Guzman, M, Rico-Feijoo, J, Ibarz, M, Alvarez, J, Kawati, R, Sivik, J, Nauska, J, Smole, D, Parenmark, F, Lyren, J, Rockstroh, K, Ryden, S, Spangfors, M, Strinnholm, M, De Geer, L, Nordlund, P, Palsson, S, Zetterquist, H, Nilsson, A, Thiringer, K, Jungner, M, Bark, B, Nordling, B, Skold, H, Brorsson, C, Persson, S, Bergstrom, A, Berkius, J, Holmstrom, J, van Dijk, I, van Lelyveld-Haas, L, Jansen, T, Nooteboom, F, van der Voort, P, Dieperink, W, de Waard, M, de Smet, A, Bormans, L, Dormans, T, Dempsey, G, Mathew, S, Raj, A, Grecu, I, Cupitt, J, Lawton, T, Clark, R, Popescu, M, Spittle, N, Faulkner, M, Cowton, A, Williams, P, Elloway, E, Reay, M, Chukkambotla, S, Kumar, R, Al-Subaie, N, Kent, L, Tamm, T, Kajtor, I, Burns, K, Pugh, R, Ostermann, M, Kam, E, Bowyer, H, Smith, N, Templeton, M, Henning, J, Goffin, K, Kapoor, R, Laha, S, Chilton, P, Khaliq, W, Crayford, A, Coetzee, S, Tait, M, Stoker, W, Gimenez, M, Pope, A, Camsooksai, J, Pogson, D, Quigley, K, Ritzema, J, Hormis, A, Boulanger, C, Balasubramaniam, M, Vamplew, L, Burt, K, Martin, D, Craig, J, Prowle, J, Doyle, N, Shelton, J, Scott, C, Donnison, P, Shelton, S, Frey, C, Ryan, C, Spray, D, Barnes, V, Barnes, K, Ridgway, S, Saha, R, Clark, T, Wood, J, Bolger, C, Bassford, C, Lewandowski, J, Zhao, X, Humphreys, S, Dowling, S, Richardson, N, Burtenshaw, A, Stevenson, C, Wilcock, D, Nalapko, Y, Helbok, R, Nollet, J, de Neve, N, Mikacic, M, Bastiansen, A, Husted, A, Dahle, B, Cramer, C, Orsnes, D, Thomsen, J, Pedersen, J, Enevoldsen, M, Elkmann, T, Kubisz-Pudelko, A, Collins, A, Hart, C, Randell, G, Filipe, H, Welters, I, Evans, J, Lord, J, Jones, J, Ball, J, North, J, Salaunkey, K, De Gordoa, L, Bell, L, Vizcaychipi, M, Mupudzi, M, Lea-Hagerty, M, Spivey, M, Love, N, White, N, Morgan, P, Wakefield, P, Savine, R, Jacob, R, Innes, R, Rose, S, Mane, T, Ogbeide, V, Baird, Y, Romen, A, Galbois, A, Vinsonneau, C, Thevenin, D, Guerot, E, Savary, G, Chagnon, J, Rigaud, J, Quenot, J, Castaneray, J, Rosman, J, Maizel, J, Tiercelet, K, Hovaere, M, Messika, M, Djibre, M, Rolin, N, Burtin, P, Garcon, P, Nseir, S, Valette, X, Horacek, M, Bruno, R, Allgauer, S, Dubler, S, Schering, S, Koutsikou, A, Vakalos, A, Raitsiou, B, Flioni, E, Neou, E, Papathanakos, G, Koutsodimitropoulos, I, Aikaterini, K, Rovina, N, Kourelea, S, Polychronis, T, Zidianakis, V, Konstantinia, V, Read, C, Martin-Loeches, I, Cracchiolo, A, Morigi, A, Brusa, S, Elhadi, A, Tarek, A, Khaled, A, Ahmed, H, Belkhair, W, Cornet, A, Gommers, D, van Boven, E, Haringman, J, Haas, L, van den Berg, L, Hoiting, O, de Jager, P, Gerritsen, R, Breidablik, A, Slapgard, A, Rime, A, Jannestad, B, Sjoboe, B, Rice, E, Jensen, J, Langorgen, J, Toien, K, Strand, K, Biernacka, A, Kluzik, A, Kudlinski, B, Hymczak, H, Solek-Pastuszka, J, Zorska, J, Krzych, L, Lipinska-Gediga, M, Pietruszko, M, Kozera, N, Sendur, P, Zatorski, P, Galkin, P, Kosciuczuk, U, Gola, W, Pinto, A, Santos, A, Ferreira, I, Blanco, J, Carvalho, J, Maia, J, Candeias, N, Lores, A, Cilloniz, C, Perez-Torres, D, Maseda, E, Prol-Silva, E, Eixarch, G, Goma, G, Velasco, G, Villamayor, M, Fernandez, N, Cubero, P, Tomasa, T, Sjoqvist, A, Schioler, F, Westberg, H, Boroli, F, Eckert, P, Yildiz, I, Yovenko, I, Fronczek J., Polok K., de Lange D. W., Jung C., Beil M., Rhodes A., Fjolner J., Gorka J., Andersen F. H., Artigas A., Cecconi M., Christensen S., Joannidis M., Leaver S., Marsh B., Morandi A., Moreno R., Oeyen S., Agvald-Ohman C., Bollen Pinto B., Schefold J. C., Valentin A., Walther S., Watson X., Zafeiridis T., Sviri S., van Heerden P. V., Flaatten H., Guidet B., Szczeklik W., Schmutz R., Wimmer F., Eller P., De Buysscher P., De Neve N., Swinnen W., Abraham P., Hergafi L., Biskup E., Piza P., Taliadoros I., Dey N., Solling C., Rasmussen B. S., Forceville X., Besch G., Mentec H., Michel P., Mateu P., Vettoretti L., Bourenne J., Marin N., Guillot M., Aissaoui N., Goulenok C., Thieulot-Rolin N., Messika J., Lamhaut L., Charron C., Lauten A., Sacher A. L., Brenner T., Franz M., Bloos F., Ebelt H., Schaller S. J., Fuest K., Rabe C., Dieck T., Steiner S., Graf T., Nia A. M., Janosi R. A., Meybohm P., Simon P., Utzolino S., Rahmel T., Barth E., Schuster M., Aidoni Z., Aloizos S., Tasioudis P., Lampiri K., Zisopoulou V., Ravani I., Pagaki E., Antoniou A., Katsoulas T. A., Kounougeri A., Marinakis G., Tsimpoukas F., Spyropoulou A., Zygoulis P., Kyparissi A., Gupta M., Gurjar M., Maji I. M., Hayes I., Kelly Y., Westbrook A., Fitzpatrick G., Maheshwari D., Motherway C., Negri G., Spadaro S., Nattino G., Pedeferri M., Boscolo A., Rossi S., Calicchio G., Cubattoli L., Di Lascio G., Barbagallo M., Berruto F., Codazzi D., Bottazzi A., Fumagalli P., Negro G., Lupi G., Savelli F., Vulcano G. A., Fumagalli R., Marudi A., Lefons U., Lembo R., Babini M., Paggioro A., Parrini V., Zaccaria M., Clementi S., Gigliuto C., Facondini F., Pastorini S., Munaron S., Calamai I., Bocchi A., Adorni A., Bocci M. G., Cortegiani A., Casalicchio T., Mellea S., Graziani E., Barattini M., Brizio E., Rossi M., Hahn M., Kemmerer N., Strietzel H. F., Dybwik K., Legernaes T., Klepstad P., Olaussen E. B., Olsen K. I., Brresen O. M., Bjorsvik G., Maini S., Fehrle L., Czuczwar M., Krawczyk P., Zietkiewicz M., Nowak L. R., Kotfis K., Cwyl K., Gajdosz R., Biernawska J., Bohatyrewicz R., Gawda R., Grudzien P., Nasilowski P., Popek N., Cyrankiewicz W., Wawrzyniak K., Wnuk M., Maciejewski D., Studzinska D., Zukowski M., Bernas S., Piechota M., Nowak-Kozka I., Serwa M., Machala W., Stefaniak J., Wujtewicz M., Maciejewski P., Szymkowiak M., Adamik B., Catorze N., Branco M. C., Barros N., Barros I., Krystopchuk A., Honrado T., Sousa C., Munoz F., Rebelo M., Gomes R., Nunes J., Dias C., Fernandes A. M., Petrisor C., Constantin B., Belskiy V., Boskholov B., Rodriguez E., Aguilar G., Masdeu G., Jaimes M. I., Mira A. P., Bodi M. A., Mendoza J. A. B., Lopez-Cuenca S., Guzman M. H., Rico-Feijoo J., Ibarz M., Alvarez J. T., Kawati R., Sivik J., Nauska J., Smole D., Parenmark F., Lyren J., Rockstroh K., Ryden S., Spangfors M., Strinnholm M., De Geer L., Nordlund P., Palsson S., Zetterquist H., Nilsson A., Thiringer K., Jungner M., Bark B., Nordling B., Skold H., Brorsson C., Persson S., Bergstrom A., Berkius J., Holmstrom J., van Dijk I., van Lelyveld-Haas L. E. M., Jansen T., Nooteboom F., van der Voort P. H. J., de Lange D., Dieperink W., de Waard M. C., de Smet A. G. E., Bormans L., Dormans T., Dempsey G., Mathew S. J., Raj A. S., Grecu I., Cupitt J., Lawton T., Clark R., Popescu M., Spittle N., Faulkner M., Cowton A., Williams P., Elloway E., Reay M., Chukkambotla S., Kumar R., Al-Subaie N., Kent L., Tamm T., Kajtor I., Burns K., Pugh R., Ostermann M., Kam E., Bowyer H., Smith N., Templeton M., Henning J., Goffin K., Kapoor R., Laha S., Chilton P., Khaliq W., Crayford A., Coetzee S., Tait M., Stoker W., Gimenez M., Pope A., Camsooksai J., Pogson D., Quigley K., Ritzema J., Hormis A., Boulanger C., Balasubramaniam M., Vamplew L., Burt K., Martin D., Craig J., Prowle J., Doyle N., Shelton J., Scott C., Donnison P., Shelton S., Frey C., Ryan C., Spray D., Barnes V., Barnes K., Ridgway S., Saha R., Clark T., Wood J., Bolger C., Bassford C., Lewandowski J., Zhao X., Humphreys S., Dowling S., Richardson N., Burtenshaw A., Stevenson C., Wilcock D., Nalapko Y., Helbok R., Nollet J., de Neve N., Mikacic M., Bastiansen A., Husted A., Dahle B. E. S., Cramer C., Orsnes D., Thomsen J. E., Pedersen J. J., Enevoldsen M. H., Elkmann T., Kubisz-Pudelko A., Collins A., Hart C., Randell G., Filipe H., Welters I. D., Evans J., Lord J., Jones J., Ball J., North J., Salaunkey K., De Gordoa L. O. -R., Bell L., Vizcaychipi M., Mupudzi M., Lea-Hagerty M., Spivey M., Love N., White N., Morgan P., Wakefield P., Savine R., Jacob R., Innes R., Rose S., Mane T., Ogbeide V., Baird Y., Romen A., Galbois A., Vinsonneau C., Thevenin D., Guerot E., Savary G., Chagnon J. L., Rigaud J. P., Quenot J. P., Castaneray J., Rosman J., Maizel J., Tiercelet K., Hovaere M. M., Messika M., Djibre M., Rolin N., Burtin P., Garcon P., Nseir S., Valette X., Horacek M., Bruno R. R., Allgauer S., Dubler S., Schering S., Koutsikou A., Vakalos A., Raitsiou B., Flioni E. N., Neou E., Papathanakos G., Koutsodimitropoulos I., Aikaterini K., Rovina N., Kourelea S., Polychronis T., Zidianakis V., Konstantinia V., Read C., Martin-Loeches I., Cracchiolo A. N., Morigi A., Brusa S., Elhadi A., Tarek A., Khaled A., Ahmed H., Belkhair W. A., Cornet A. D., Gommers D., van Boven E., Haringman J., Haas L., van den Berg L., Hoiting O., de Jager P., Gerritsen R. T., Breidablik A., Slapgard A., Rime A. K., Jannestad B., Sjoboe B., Rice E., Jensen J. P., Langorgen J., Toien K., Strand K., Biernacka A., Kluzik A., Kudlinski B., Hymczak H., Solek-Pastuszka J., Zorska J., Krzych L. J., Lipinska-Gediga M., Pietruszko M., Kozera N., Sendur P., Zatorski P., Galkin P., Kosciuczuk U., Gola W., Pinto A. F., Santos A. R., Ferreira I. A., Blanco J. B., Carvalho J. T., Maia J., Candeias N., Lores A., Cilloniz C., Perez-Torres D., Maseda E., Prol-Silva E., Eixarch G., Goma G., Velasco G. N., Villamayor M. I., Fernandez N. L., Cubero P. J., Tomasa T., Sjoqvist A., Schioler F., Westberg H., Thiringer K. K., Boroli F., Eckert P., Yildiz I., and Yovenko I.

Abstract

Background: The Clinical Frailty Scale (CFS) is frequently used to measure frailty in critically ill adults. There is wide variation in the approach to analysing the relationship between the CFS score and mortality after admission to the ICU. This study aimed to evaluate the influence of modelling approach on the association between the CFS score and short-term mortality and quantify the prognostic value of frailty in this context. Methods: We analysed data from two multicentre prospective cohort studies which enrolled intensive care unit patients ≥ 80 years old in 26 countries. The primary outcome was mortality within 30-days from admission to the ICU. Logistic regression models for both ICU and 30-day mortality included the CFS score as either a categorical, continuous or dichotomous variable and were adjusted for patient’s age, sex, reason for admission to the ICU, and admission Sequential Organ Failure Assessment score. Results: The median age in the sample of 7487 consecutive patients was 84 years (IQR 81–87). The highest fraction of new prognostic information from frailty in the context of 30-day mortality was observed when the CFS score was treated as either a categorical variable using all original levels of frailty or a nonlinear continuous variable and was equal to 9% using these modelling approaches (p < 0.001). The relationship between the CFS score and mortality was nonlinear (p < 0.01). Conclusion: Knowledge about a patient’s frailty status adds a substantial amount of new prognostic information at the moment of admission to the ICU. Arbitrary simplification of the CFS score into fewer groups than originally intended leads to a loss of information and should be avoided. Trial registration NCT03134807 (VIP1), NCT03370692 (VIP2)

Published
2021

9. Waves and Tsunami Project

Author

Frashure, K. M., Chen, R. F., Stephen, R. A., Bolmer, T., Lavin, M., Strohschneider, D., Maichle, R., Micozzi, N., and Cramer, C.

Abstract

Demonstrating wave processes quantitatively in the classroom using standard classroom tools (such as Slinkys and wave tanks) can be difficult. For example, waves often travel too fast for students to actually measure amplitude or wavelength. Also, when teaching propagating waves, reflections from the ends set up standing waves, which can confuse students. Additionally, the waves can attenuate quickly, causing the amplitude to change along the string. In response to these difficulties the authors set-up a website to display animations of waves traveling on different types of strings (a collaboration between a marine seismologist at Woods Hole Oceanographic Institution and middle school teachers). The Plymouth Wave Lab is a website that allows students to run animations of waves on strings. The benefits of using the website quickly become obvious: The wave lab is able to show ideal waves on a string in mpeg file format; students can start and stop the movie as they wish while they think about what is going on. Snapshots from the movies are available as handouts in the "For Teachers" section, so students can easily measure the wave properties. This article describes the classroom unit that the authors built around the website where students rotated through five different stations. The activities at each station were used to help students understand transverse and longitudinal waves, frequency, period, amplitude, wavelength, crest, trough, rarefaction, and compression. The Plymouth Wave Lab website was used both to complement the hands-on classroom activities and as a station. In addition, the team decided to use tsunamis in the curriculum, believing they would appeal to students and stimulate their interest, months before the Sumatra tsunami hit. (Contains 1 figure and 2 online resources.)

Published
2007

10. Relationship between the Clinical Frailty Scale and short-term mortality in patients ≥ 80 years old acutely admitted to the ICU: a prospective cohort study

Author

Fronczek, Jakub, Polok, Kamil, de Lange, Dylan W., Jung, Christian, Beil, Michael, Rhodes, Andrew, Fjølner, Jesper, Górka, Jacek, Andersen, Finn H., Artigas, Antonio, Cecconi, Maurizio, Christensen, Steffen, Joannidis, Michael, Leaver, Susannah, Marsh, Brian, Morandi, Alessandro, Moreno, Rui, Oeyen, Sandra, Agvald-Öhman, Christina, Bollen Pinto, Bernardo, Schefold, Joerg C., Valentin, Andreas, Walther, Sten, Watson, Ximena, Zafeiridis, Tilemachos, Sviri, Sigal, van Heerden, Peter Vernon, Flaatten, Hans, Guidet, Bertrand, Szczeklik, Wojciech, Schmutz, R., Wimmer, F., Eller, P., Joannidis, M., De Buysscher, P., De Neve, N., Oeyen, S., Swinnen, W., Bollen Pinto, B., Abraham, P., Hergafi, L., Schefold, J. C., Biskup, E., Piza, P., Taliadoros, I., Fjølner, J., Dey, N., Sølling, C., Rasmussen, B. S., Christensen, S., Forceville, X., Besch, G., Mentec, H., Michel, P., Mateu, P., Vettoretti, L., Bourenne, J., Marin, N., Guillot, M., Aissaoui, N., Goulenok, C., Thieulot-Rolin, N., Messika, J., Lamhaut, L., Guidet, B., Charron, C., Lauten, A., Sacher, A. L., Brenner, T., Franz, M., Bloos, F., Ebelt, H., Schaller, S. J., Fuest, K., Rabe, C., Dieck, T., Steiner, S., Graf, T., Nia, A. M., Jung, C., Janosi, R. A., Meybohm, P., Simon, P., Utzolino, S., Rahmel, T., Barth, E., Schuster, M., Aidoni, Z., Aloizos, S., Tasioudis, P., Lampiri, K., Zisopoulou, V., Ravani, I., Pagaki, E., Antoniou, A., Katsoulas, T. A., Kounougeri, A., Marinakis, G., Tsimpoukas, F., Spyropoulou, A., Zygoulis, P., Kyparissi, A., Gupta, M., Gurjar, M., Maji, I. M., Hayes, I., Marsh, B., Kelly, Y., Westbrook, A., Fitzpatrick, G., Maheshwari, D., Motherway, C., Negri, G., Spadaro, S., Nattino, G., Pedeferri, M., Boscolo, A., Rossi, S., Calicchio, G., Cubattoli, L., Di Lascio, G., Barbagallo, M., Berruto, F., Codazzi, D., Bottazzi, A., Fumagalli, P., Negro, G., Lupi, G., Savelli, F., Vulcano, G. A., Fumagalli, R., Marudi, A., Lefons, U., Lembo, R., Babini, M., Paggioro, A., Parrini, V., Zaccaria, M., Clementi, S., Gigliuto, C., Facondini, F., Pastorini, S., Munaron, S., Calamai, I., Bocchi, A., Adorni, A., Bocci, M. G., Cortegiani, A., Casalicchio, T., Mellea, S., Graziani, E., Barattini, M., Brizio, E., Rossi, M., Hahn, M., Flaatten, H., Kemmerer, N., Strietzel, H. F., Dybwik, K., Legernaes, T., Klepstad, P., Olaussen, E. B., Olsen, K. I., Brresen, O. M., Bjorsvik, G., Andersen, F. H., Maini, S., Fehrle, L., Czuczwar, M., Krawczyk, P., Ziętkiewicz, M., Nowak, Ł. R., Kotfis, K., Cwyl, K., Gajdosz, R., Biernawska, J., Bohatyrewicz, R., Gawda, R., Grudzień, P., Nasiłowski, P., Popek, N., Cyrankiewicz, W., Wawrzyniak, K., Wnuk, M., Maciejewski, D., Studzińska, D., Żukowski, M., Bernas, S., Piechota, M., Szczeklik, W., Nowak-Kózka, I., Fronczek, J., Serwa, M., Machała, W., Stefaniak, J., Wujtewicz, M., Maciejewski, P., Szymkowiak, M., Adamik, B., Polok, K., Górka, J., Catorze, N., Branco, M. C., Barros, N., Barros, I., Krystopchuk, A., Honrado, T., Sousa, C., Munoz, F., Rebelo, M., Gomes, R., Nunes, J., Dias, C., Fernandes, A. M., Petrisor, C., Constantin, B., Belskiy, V., Boskholov, B., Rodriguez, E., Aguilar, G., Masdeu, G., Jaimes, M. I., Mira, A. P., Bodi, M. A., Mendoza, J. A. B., López-Cuenca, S., Guzman, M. H., Rico-Feijoo, J., Ibarz, M., Alvarez, J. Trenado, Kawati, R., Sivik, J., Nauska, J., Smole, D., Parenmark, F., Lyrén, J., Rockstroh, K., Rydén, S., Spångfors, M., Strinnholm, M., Walther, S., De Geer, L., Nordlund, P., Pålsson, S., Zetterquist, H., Nilsson, A., Thiringer, K., Jungner, M., Bark, B., Nordling, B., Sköld, H., Brorsson, C., Persson, S., Bergström, A., Berkius, J., Holmström, J., van Dijk, I., van Lelyveld-Haas, L. E. M., Jansen, T., Nooteboom, F., van der Voort, P. H. J., de Lange, D., Dieperink, W., de Waard, M. C., de Smet, A. G. E., Bormans, L., Dormans, T., Dempsey, G., Mathew, S. J., Raj, A. S., Grecu, I., Cupitt, J., Lawton, T., Clark, R., Popescu, M., Spittle, N., Faulkner, M., Cowton, A., Williams, P., Elloway, E., Reay, M., Chukkambotla, S., Kumar, R., Al-Subaie, N., Kent, L., Tamm, T., Kajtor, I., Burns, K., Pugh, R., Ostermann, M., Kam, E., Bowyer, H., Smith, N., Templeton, M., Henning, J., Goffin, K., Kapoor, R., Laha, S., Chilton, P., Khaliq, W., Crayford, A., Coetzee, S., Tait, M., Stoker, W., Gimenez, M., Pope, A., Camsooksai, J., Pogson, D., Quigley, K., Ritzema, J., Hormis, A., Boulanger, C., Balasubramaniam, M., Vamplew, L., Burt, K., Martin, D., Craig, J., Prowle, J., Doyle, N., Shelton, J., Scott, C., Donnison, P., Shelton, S., Frey, C., Ryan, C., Spray, D., Barnes, V., Barnes, K., Ridgway, S., Saha, R., Clark, T., Wood, J., Bolger, C., Bassford, C., Lewandowski, J., Zhao, X., Humphreys, S., Dowling, S., Richardson, N., Burtenshaw, A., Stevenson, C., Wilcock, D., Nalapko, Y., Helbok, R., Nollet, J., de Neve, N., Mikačić, M., Bastiansen, A., Husted, A., Dahle, B. E. S., Cramer, C., Ørsnes, D., Thomsen, J. Edelberg, Pedersen, J. J., Enevoldsen, M. Hummelmose, Elkmann, T., Kubisz-Pudelko, A., Collins, A., Hart, C., Randell, G., Filipe, H., Welters, I. D., Evans, J., Lord, J., Jones, J., Ball, J., North, J., Salaunkey, K., De Gordoa, L. Ortiz-Ruiz, Bell, L., Vizcaychipi, M., Mupudzi, M., Lea-Hagerty, M., Spivey, M., Love, N., White, N., Morgan, P., Wakefield, P., Savine, R., Jacob, R., Innes, R., Rose, S., Leaver, S., Mane, T., Ogbeide, V., Baird, Y., Romen, A., Galbois, A., Vinsonneau, C., Thevenin, D., Guerot, E., Savary, G., Chagnon, J. L., Rigaud, J. P., Quenot, J. P., Castaneray, J., Rosman, J., Maizel, J., Tiercelet, K., Hovaere, M. M., Messika, M., Djibré, M., Rolin, N., Burtin, P., Garcon, P., Nseir, S., Valette, X., Horacek, M., Bruno, R. Romano, Allgäuer, S., Dubler, S., Schering, S., Koutsikou, A., Vakalos, A., Raitsiou, B., Flioni, E. N., Neou, E., Papathanakos, G., Koutsodimitropoulos, I., Aikaterini, K., Rovina, N., Kourelea, S., Polychronis, T., Zidianakis, V., Konstantinia, V., Read, C., Martin-Loeches, I., Cracchiolo, A. Neville, Morigi, A., Brusa, S., Elhadi, A., Tarek, A., Khaled, A., Ahmed, H., Belkhair, W. Ali, Cornet, A. D., Gommers, D., van Boven, E., Haringman, J., Haas, L., van den Berg, L., Hoiting, O., de Jager, P., Gerritsen, R. T., Breidablik, A., Slapgard, A., Rime, A. K., Jannestad, B., Sjøbøe, B., Rice, E., Jensen, J. P., Langørgen, J., Tøien, K., Strand, K., Biernacka, A., Kluzik, A., Kudlinski, B., Hymczak, H., Solek-Pastuszka, J., Zorska, J., Krzych, Ł. J., Zukowski, M., Lipińska-Gediga, M., Pietruszko, M., Kozera, N., Sendur, P., Zatorski, P., Galkin, P., Kościuczuk, U., Gola, W., Pinto, A. F., Santos, A. R., Ferreira, I. A., Blanco, J. B., Carvalho, J. T., Maia, J., Candeias, N., Lores, A., Cilloniz, C., Perez-Torres, D., Maseda, E., Prol-Silva, E., Eixarch, G., Gomà, G., Velasco, G. Navarro, Jaimes, M. Irazábal, Villamayor, M. Ibarz, Fernández, N. Llamas, Cubero, P. Jimeno, Tomasa, T., Sjöqvist, A., Schiöler, F., Westberg, H., Thiringer, K. Kleiven, Boroli, F., Eckert, P., Yıldız, I., Yovenko, I., for the VIP1, [missing], VIP2 study group, [missing], Fronczek, Jakub, Polok, Kamil, de Lange, Dylan W, Jung, Christian, Beil, Michael, Rhodes, Andrew, Fjølner, Jesper, Górka, Jacek, Andersen, Finn H, Artigas, Antonio, Cecconi, Maurizio, Christensen, Steffen, Joannidis, Michael, Leaver, Susannah, Marsh, Brian, Morandi, Alessandro, Moreno, Rui, Oeyen, Sandra, Agvald-Öhman, Christina, Bollen Pinto, Bernardo, Schefold, Joerg C, Valentin, Andrea, Walther, Sten, Watson, Ximena, Zafeiridis, Tilemacho, Sviri, Sigal, van Heerden, Peter Vernon, Flaatten, Han, Guidet, Bertrand, Szczeklik, Wojciech, R Schmutz, F Wimmer, P Eller, M Joannidis, P De Buysscher, N De Neve, S Oeyen, W Swinnen, B Bollen Pinto, P Abraham, L Hergafi, J C Schefold, E Biskup, P Piza, I Taliadoros, J Fjølner, N Dey, C Sølling, B S Rasmussen, S Christensen, X Forceville, G Besch, H Mentec, P Michel, P Mateu, P Michel, L Vettoretti, J Bourenne, N Marin, M Guillot, N Aissaoui, C Goulenok, N Thieulot-Rolin, J Messika, L Lamhaut, B Guidet, C Charron, A Lauten, A L Sacher, T Brenner, M Franz, F Bloos, H Ebelt, S J Schaller, K Fuest, C Rabe, T Dieck, S Steiner, T Graf, A M Nia, C Jung, R A Janosi, P Meybohm, P Simon, S Utzolino, T Rahmel, E Barth, C Jung, M Schuster, Z Aidoni, S Aloizos, P Tasioudis, K Lampiri, V Zisopoulou, I Ravani, E Pagaki, A Antoniou, T A Katsoulas, A Kounougeri, G Marinakis, F Tsimpoukas, A Spyropoulou, P Zygoulis, A Kyparissi, M Gupta, M Gurjar, I M Maji, I Hayes, B Marsh, Y Kelly, A Westbrook, G Fitzpatrick, D Maheshwari, C Motherway, G Negri, S Spadaro, G Nattino, M Pedeferri, A Boscolo, S Rossi, G Calicchio, L Cubattoli, G Di Lascio, M Barbagallo, F Berruto, D Codazzi, A Bottazzi, P Fumagalli, G Negro, G Lupi, F Savelli, G A Vulcano, R Fumagalli, A Marudi, U Lefons, R Lembo, M Babini, A Paggioro, V Parrini, M Zaccaria, S Clementi, C Gigliuto, F Facondini, S Pastorini, S Munaron, I Calamai, A Bocchi, A Adorni, M G Bocci, A Cortegiani, T Casalicchio, S Mellea, E Graziani, M Barattini, E Brizio, M Rossi, M Hahn, H Flaatten, N Kemmerer, H F Strietzel, K Dybwik, T Legernaes, P Klepstad, E B Olaussen, K I Olsen, O M Brresen, G Bjorsvik, F H Andersen, S Maini, L Fehrle, M Czuczwar, P Krawczyk, M Ziętkiewicz, Ł R Nowak, K Kotfis, K Cwyl, R Gajdosz, J Biernawska, R Bohatyrewicz, R Gawda, P Grudzień, P Nasiłowski, N Popek, W Cyrankiewicz, K Wawrzyniak, M Wnuk, D Maciejewski, D Studzińska, M Żukowski, S Bernas, M Piechota, W Szczeklik, I Nowak-Kózka, J Fronczek, M Serwa, W Machała, J Stefaniak, M Wujtewicz, P Maciejewski, M Szymkowiak, B Adamik, K Polok, J Górka, N Catorze, M C Branco, N Barros, I Barros, A Krystopchuk, T Honrado, C Sousa, F Munoz, M Rebelo, R Gomes, J Nunes, C Dias, A M Fernandes, C Petrisor, B Constantin, V Belskiy, B Boskholov, E Rodriguez, G Aguilar, G Masdeu, M I Jaimes, A P Mira, M A Bodi, J A B Mendoza, S López-Cuenca, M H Guzman, J Rico-Feijoo, M Ibarz, J Trenado Alvarez, R Kawati, J Sivik, J Nauska, D Smole, F Parenmark, J Lyrén, K Rockstroh, S Rydén, M Spångfors, M Strinnholm, S Walther, L De Geer, P Nordlund, S Pålsson, H Zetterquist, A Nilsson, K Thiringer, M Jungner, B Bark, B Nordling, H Sköld, C Brorsson, S Persson, A Bergström, J Berkius, J Holmström, I van Dijk, L E M van Lelyveld-Haas, T Jansen, F Nooteboom, P H J van der Voort, D de Lange, W Dieperink, M C de Waard, A G E de Smet, L Bormans, T Dormans, G Dempsey, S J Mathew, A S Raj, I Grecu, J Cupitt, T Lawton, R Clark, M Popescu, N Spittle, M Faulkner, A Cowton, P Williams, E Elloway, M Reay, S Chukkambotla, R Kumar, N Al-Subaie, L Kent, T Tamm, I Kajtor, K Burns, R Pugh, M Ostermann, E Kam, H Bowyer, N Smith, M Templeton, J Henning, K Goffin, R Kapoor, S Laha, P Chilton, W Khaliq, A Crayford, S Coetzee, M Tait, W Stoker, M Gimenez, A Pope, J Camsooksai, D Pogson, K Quigley, J Ritzema, A Hormis, C Boulanger, M Balasubramaniam, L Vamplew, K Burt, D Martin, I Grecu, J Craig, J Prowle, N Doyle, J Shelton, C Scott, P Donnison, S Shelton, C Frey, C Ryan, D Spray, C Ryan, V Barnes, K Barnes, S Ridgway, R Saha, L Kent, T Clark, J Wood, C Bolger, C Bassford, A Cowton, J Lewandowski, X Zhao, S Humphreys, S Dowling, N Richardson, A Burtenshaw, C Stevenson, D Wilcock, Y Nalapko, M Joannidis, P Eller, R Helbok, R Schmutz, J Nollet, N de Neve, P De Buysscher, S Oeyen, W Swinnen, M Mikačić, A Bastiansen, A Husted, B E S Dahle, C Cramer, C Sølling, D Ørsnes, J Edelberg Thomsen, J J Pedersen, M Hummelmose Enevoldsen, T Elkmann, A Kubisz-Pudelko, A Pope, A Collins, A S Raj, C Boulanger, C Frey, C Hart, C Bolger, D Spray, G Randell, H Filipe, I D Welters, I Grecu, J Evans, J Cupitt, J Lord, J Henning, J Jones, J Ball, J North, K Salaunkey, L Ortiz-Ruiz De Gordoa, L Bell, M Balasubramaniam, M Vizcaychipi, M Faulkner, M Mupudzi, M Lea-Hagerty, M Reay, M Spivey, N Love, N Spittle, N White, P Williams, P Morgan, P Wakefield, R Savine, R Jacob, R Innes, R Kapoor, S Humphreys, S Rose, S Dowling, S Leaver, T Mane, T Lawton, V Ogbeide, W Khaliq, Y Baird, A Romen, A Galbois, B Guidet, C Vinsonneau, C Charron, D Thevenin, E Guerot, G Besch, G Savary, H Mentec, J L Chagnon, J P Rigaud, J P Quenot, J Castaneray, J Rosman, J Maizel, K Tiercelet, L Vettoretti, M M Hovaere, M Messika, M Djibré, N Rolin, P Burtin, P Garcon, S Nseir, X Valette, C Rabe, E Barth, H Ebelt, K Fuest, M Franz, M Horacek, M Schuster, P Meybohm, R Romano Bruno, S Allgäuer, S Dubler, S J Schaller, S Schering, S Steiner, T Dieck, T Rahmel, T Graf, A Koutsikou, A Vakalos, B Raitsiou, E N Flioni, E Neou, F Tsimpoukas, G Papathanakos, G Marinakis, I Koutsodimitropoulos, K Aikaterini, N Rovina, S Kourelea, T Polychronis, V Zidianakis, V Konstantinia, Z Aidoni, B Marsh, C Motherway, C Read, I Martin-Loeches, A Neville Cracchiolo, A Morigi, I Calamai, S Brusa, A Elhadi, A Tarek, A Khaled, H Ahmed, W Ali Belkhair, A D Cornet, D Gommers, D de Lange, E van Boven, J Haringman, L Haas, L van den Berg, O Hoiting, P de Jager, R T Gerritsen, T Dormans, W Dieperink, A Breidablik, A Slapgard, A K Rime, B Jannestad, B Sjøbøe, E Rice, F H Andersen, H F Strietzel, J P Jensen, J Langørgen, K Tøien, K Strand, M Hahn, P Klepstad, A Biernacka, A Kluzik, B Kudlinski, D Maciejewski, D Studzińska, H Hymczak, J Stefaniak, J Solek-Pastuszka, J Zorska, K Cwyl, Ł J Krzych, M Zukowski, M Lipińska-Gediga, M Pietruszko, M Piechota, M Serwa, M Czuczwar, M Ziętkiewicz, N Kozera, P Nasiłowski, P Sendur, P Zatorski, P Galkin, R Gawda, U Kościuczuk, W Cyrankiewicz, W Gola, A F Pinto, A M Fernandes, A R Santos, C Sousa, I Barros, I A Ferreira, J B Blanco, J T Carvalho, J Maia, N Candeias, N Catorze, V Belskiy, A Lores, A P Mira, C Cilloniz, D Perez-Torres, E Maseda, E Rodriguez, E Prol-Silva, G Eixarch, G Gomà, G Aguilar, G Navarro Velasco, M Irazábal Jaimes, M Ibarz Villamayor, N Llamas Fernández, P Jimeno Cubero, S López-Cuenca, T Tomasa, A Sjöqvist, C Brorsson, F Schiöler, H Westberg, J Nauska, J Sivik, J Berkius, K Kleiven Thiringer, L De Geer, S Walther, F Boroli, J C Schefold, L Hergafi, P Eckert, I Yıldız, I Yovenko, Y Nalapko, R Pugh, and Critical Care

Subjects
Male, Short term mortality, Critical Care and Intensive Care Medicine, Cohort Studies, 0302 clinical medicine, kwetsbaarheid, Medicine and Health Sciences, 80 and over, Medicine, 610 Medicine & health, Prospective cohort study, Correlation of Data, 11 Medical and Health Sciences, Aged, 80 and over, OUTCOMES, Intensive care units, Frailty, VIP1, Aged,&nbsp, Medical emergencies. Critical care. Intensive care. First aid, Scale (social sciences), Female, prospectief onderzoek, Life Sciences & Biomedicine, CRITICALLY-ILL PATIENTS, Study groups, medicine.medical_specialty, Anestesi och intensivvård, 80 jaar en ouder, INTENSIVE-CARE, BED AVAILABILITY, NO, 03 medical and health sciences, Critical Care Medicine, Intensive care, sterfte, General & Internal Medicine, Humans, Aged, Prospective studies, Mortality, In patient, ddc:610, Intensive Care Units, Logistic Models, Prospective Studies, Science & Technology, Anesthesiology and Intensive Care, business.industry, RC86-88.9, Research, 030208 emergency & critical care medicine, ADULTS, Aged, 80 and over, Emergency & Critical Care Medicine, 030228 respiratory system, intensivecareafdelingen, Critical illness, Emergency medicine, VIP2 study group, &nbsp, CRITICAL ILLNESS, business
Abstract

Background The Clinical Frailty Scale (CFS) is frequently used to measure frailty in critically ill adults. There is wide variation in the approach to analysing the relationship between the CFS score and mortality after admission to the ICU. This study aimed to evaluate the influence of modelling approach on the association between the CFS score and short-term mortality and quantify the prognostic value of frailty in this context. Methods We analysed data from two multicentre prospective cohort studies which enrolled intensive care unit patients ≥ 80 years old in 26 countries. The primary outcome was mortality within 30-days from admission to the ICU. Logistic regression models for both ICU and 30-day mortality included the CFS score as either a categorical, continuous or dichotomous variable and were adjusted for patient’s age, sex, reason for admission to the ICU, and admission Sequential Organ Failure Assessment score. Results The median age in the sample of 7487 consecutive patients was 84 years (IQR 81–87). The highest fraction of new prognostic information from frailty in the context of 30-day mortality was observed when the CFS score was treated as either a categorical variable using all original levels of frailty or a nonlinear continuous variable and was equal to 9% using these modelling approaches (p p Conclusion Knowledge about a patient’s frailty status adds a substantial amount of new prognostic information at the moment of admission to the ICU. Arbitrary simplification of the CFS score into fewer groups than originally intended leads to a loss of information and should be avoided. Trial registration NCT03134807 (VIP1), NCT03370692 (VIP2)

Published
2021

16. WAVES & TSUNAMMI PROJECT

Author

Frashure, K.M., Chen, R.F., Stephen, R.A., Bolmer, T., Lavin, M., Strohschneider, D., Maichle, R., Micozzi, N., and Cramer, C.

Published
2007

21. Early life risk factors of being overweight at 10 years of age: results of the German birth cohorts GINIplus and LISAplus

Author

Pei, Z., Flexeder, C., Fuertes, E., Thiering, E., Koletzko, B., Cramer, C., Berdel, D., Lehmann, I., Bauer, C.-P., and Heinrich, J.

Subjects
Obesity -- Physiological aspects, Risk factors (Health) -- Research, Prevalence studies (Epidemiology) -- Research, Food/cooking/nutrition, Health
Abstract

OBJECTIVE: To develop a prediction model that quantifies the risk of being overweight at 10 years of age. SUBJECTS/METHODS: In total, 3121 participants from the GINIplus (German Infant Nutritional Intervention plus environmental and genetic influences on allergy development) and LISAplus (Influences of Lifestyle-Related Factors on the Immune System and the Development of Allergies in Childhood plus Air Pollution and Genetics) German birth cohorts were recruited. We predicted standardized body mass index (BMI) at 10 years of age using standardized BMIs from birth to 5 years. Parental education, family income and maternal smoking during pregnancy were considered as covariates. Linear and logistic regression models were used to evaluate the impact of risk factors on BMI and on being overweight at 10 years of age, respectively. RESULTS: Birth weight, standardized BMI at 5 years (60-64 months) (β = 0.77;95% confidence interval (CI): 0.73- 0.81) and maternal smoking during pregnancy were positively associated with standardized BMI at 10 years of age. Standardized BMI and overweight at 5 years were strongest predictors of being overweight at 10 years. Conversely, high parental education conferred a protective effect (β = -0.15; 95% CI: -0.29 to -0.01). Being overweight at 5 years (60-64 months) increased the risk of being overweight at 10 years of age with odds ratios above 10. Among children who were predicted to be overweight at 10 years, cross-validation results showed that 76.8% of female subjects and 68.1% of male subjects would be overweight at 10 years of age. CONCLUSION: BMI and being overweight at 5 years of age are strong predictors of being overweight at 10 years of age. The effectiveness of targeted interventions in children who are overweight at 5 years of age should be explored. European Journal of Clinical Nutrition (2013) 67, 855-862; doi: 10.1038/ejcn.2013.80; published online 24 April 2013 Keywords: overweight; obesity; children; risk factors; prediction, INTRODUCTION Obesity is a major public health challenge. It is associated with numerous illnesses and often persists into adulthood. (1) Being overweight during childhood and adolescence adversely affects the onset [...]

Published
2013
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23. Die zwei deutschen Geburtskohorten GINIplus und LISAplus

Author

Heinrich, J., Brüske, I., Schnappinger, M., Standl, M., Flexeder, C., Thiering, E., Tischer, C., Tiesler, C.M.T., Kohlböck, G., Wenig, C.M., Bauer, C.P., Schaaf, B., von Berg, A., Berdel, D., Krämer, U., Cramer, C., Lehmann, I., Herbarth, O., Behrendt, H., Ring, J., Kühnisch, J., and Koletzko, S.

Published
2012
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25. NWChem

Author

Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J.J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J.O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin Del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M.A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, Dunyou, Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Zhiyong, Zhao, Yan, Harrison, R. J., Pacific Northwest National Laboratory, Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory, Brookhaven National Laboratory, Argonne National Laboratory, Intel, University of Texas at Arlington, The State University of New York at Buffalo, Pennsylvania State University, Washington University St. Louis, Maria Curie-Sklodowska University, Iowa State University, Czech Academy of Sciences, University of Tennessee System, Université Libre de Bruxelles, Facebook Inc, Russian Academy of Sciences, University of Minnesota Twin Cities, Jodrell Bank Observatory, University of Washington, Dirac Solutions, Naval Research Laboratory, Georgia Institute of Technology, University of St Andrews, Universidad Autónoma Metropolitana, University of California San Diego, Saarland University, Sandia National Laboratories, RIKEN, University of Illinois at Urbana-Champaign, Multiscale Statistical and Quantum Physics, Australian National University, Florida Institute of Technology, University of Science and Technology of China, Fundação Oswaldo Cruz, Zerene Systems LLC, Cardiff University, Louisiana State University, CAS - Institute of Software, Universidad Nacional Autónoma de México, University of Florida, Los Alamos National Laboratory, University of Oviedo, Prince of Songkla University, University of Utah, Northwestern University, Universal Display Corporation, Universidade Federal de Pernambuco, ICREA, Cray Inc, Massachusetts Institute of Technology, 1QBit, Nvidia, University of Tennessee, Knoxville, Shandong Normal University, University of Cambridge, Advanced Micro Devices, Technische Universität München, Stanford University, Wuhan University of Technology, Stony Brook University, Department of Applied Physics, Aalto-yliopisto, and Aalto University

Abstract

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.

Published
2020

26. NWChem: Past, Present, and Future

Author

Apra, Edoardo, Bylaska, Eric, De Jong, Wibe, Govind, Niranjan, Kowalski, Karol, Straatsma, T.P., Valiev, Marat, Van Dam, Hubertus, Alexeev, Yuri, Anchell, James, Anisimov, Victor, Aquino, Fredy, Atta-Fynn, Raymond, Autschbach, Jochen, Bauman, Nicholas, Becca, Jeffrey, Bernholdt, David, Bhaskaran-Nair, Kiran, Bogatko, Stuart, Borowski, Piotr, Boschen, Jeffery, Brabec, Jiri, Bruner, Adam, Cauet, Emilie, Harrison, Robert, Chen, Cho-Yi, Chuev, G.N., Cramer, C. J., Daily, J., Deegan, M.J.O., Dunning, T.H., Dupuis, M., Dyall, K.G., Fann, G. I., Fischer, S.A., Fonari, A., Früchti, H., and Gagliardi, L.

Subjects
Chimie quantique, Chimie théorique
Abstract

0, info:eu-repo/semantics/published

Published
2020

29. Berufsethos als Gegenstand der Lehrerinnen- und Lehrerbildung

Author

Cramer, Colin, König, Johannes, Rothland, Martin, Blömeke, Sigrid, Cramer, C ( Colin ), König, J ( Johannes ), Rothland, M ( Martin ), Blömeke, S ( Sigrid ), Forster-Heinzer, Sarah; https://orcid.org/0000-0002-8544-8335, Oser, Fritz, Cramer, Colin, König, Johannes, Rothland, Martin, Blömeke, Sigrid, Cramer, C ( Colin ), König, J ( Johannes ), Rothland, M ( Martin ), Blömeke, S ( Sigrid ), Forster-Heinzer, Sarah; https://orcid.org/0000-0002-8544-8335, and Oser, Fritz

Abstract

Die Bedeutung des Ethos für die Professionalität einer Lehrperson ist aus erziehungs-wissenschaftlicher Perspektive weithin akzeptiert und somit auch für die Lehrerinnen- und Lehrerbildung relevant. Der Artikel gibt einen Überblick über verschiedene Modelle, die drei Ethos-Ansätzen zugeordnet werden können, und geht auf Möglichkeiten zur Förderung von Ethos in der Lehrerinnen- und Lehrerbildung ein.

Published
2020

30. Die Beendigung der Hinterlegung von Sportpferden

Author

Jung, Peter, Krauskopf, Frédéric, Cramer, Conradin, Jung, P ( Peter ), Krauskopf, F ( Frédéric ), Cramer, C ( Conradin ), Strub, Yael, Jung, Peter, Krauskopf, Frédéric, Cramer, Conradin, Jung, P ( Peter ), Krauskopf, F ( Frédéric ), Cramer, C ( Conradin ), and Strub, Yael

Published
2020

37. Homo economicus goes to war: methodological individualism, rational choice and the political economy of war

Author

Cramer, C.

Subjects
Business, international, Economics, International relations
Abstract

Neoclassical economic theories of violent conflict have proliferated in recent years and, with their application to contemporary wars, have influenced donors and policy makers. This paper reviews the intellectual foundations and empirical substance of such theories and offers a critique drawing on a political economy perspective. There are strong grounds for arguing that orthodox economic theories of war are reductionist, speculative, and misleading. Theories that are driven by methodological individualism are compelled somehow to model 'the social' as it affects contemporary warfor example, by appeal to indices of ethno-linguistic fragmentation but do so in ways that fail to capture reality and its variations. Key words--war, political economy, development theory, methodological individualism

Published
2002

40. NWChem: Past, present, and future

Author

Aprà, E., primary, Bylaska, E. J., additional, de Jong, W. A., additional, Govind, N., additional, Kowalski, K., additional, Straatsma, T. P., additional, Valiev, M., additional, van Dam, H. J. J., additional, Alexeev, Y., additional, Anchell, J., additional, Anisimov, V., additional, Aquino, F. W., additional, Atta-Fynn, R., additional, Autschbach, J., additional, Bauman, N. P., additional, Becca, J. C., additional, Bernholdt, D. E., additional, Bhaskaran-Nair, K., additional, Bogatko, S., additional, Borowski, P., additional, Boschen, J., additional, Brabec, J., additional, Bruner, A., additional, Cauët, E., additional, Chen, Y., additional, Chuev, G. N., additional, Cramer, C. J., additional, Daily, J., additional, Deegan, M. J. O., additional, Dunning, T. H., additional, Dupuis, M., additional, Dyall, K. G., additional, Fann, G. I., additional, Fischer, S. A., additional, Fonari, A., additional, Früchtl, H., additional, Gagliardi, L., additional, Garza, J., additional, Gawande, N., additional, Ghosh, S., additional, Glaesemann, K., additional, Götz, A. W., additional, Hammond, J., additional, Helms, V., additional, Hermes, E. D., additional, Hirao, K., additional, Hirata, S., additional, Jacquelin, M., additional, Jensen, L., additional, Johnson, B. G., additional, Jónsson, H., additional, Kendall, R. A., additional, Klemm, M., additional, Kobayashi, R., additional, Konkov, V., additional, Krishnamoorthy, S., additional, Krishnan, M., additional, Lin, Z., additional, Lins, R. D., additional, Littlefield, R. J., additional, Logsdail, A. J., additional, Lopata, K., additional, Ma, W., additional, Marenich, A. V., additional, Martin del Campo, J., additional, Mejia-Rodriguez, D., additional, Moore, J. E., additional, Mullin, J. M., additional, Nakajima, T., additional, Nascimento, D. R., additional, Nichols, J. A., additional, Nichols, P. J., additional, Nieplocha, J., additional, Otero-de-la-Roza, A., additional, Palmer, B., additional, Panyala, A., additional, Pirojsirikul, T., additional, Peng, B., additional, Peverati, R., additional, Pittner, J., additional, Pollack, L., additional, Richard, R. M., additional, Sadayappan, P., additional, Schatz, G. C., additional, Shelton, W. A., additional, Silverstein, D. W., additional, Smith, D. M. A., additional, Soares, T. A., additional, Song, D., additional, Swart, M., additional, Taylor, H. L., additional, Thomas, G. S., additional, Tipparaju, V., additional, Truhlar, D. G., additional, Tsemekhman, K., additional, Van Voorhis, T., additional, Vázquez-Mayagoitia, Á., additional, Verma, P., additional, Villa, O., additional, Vishnu, A., additional, Vogiatzis, K. D., additional, Wang, D., additional, Weare, J. H., additional, Williamson, M. J., additional, Windus, T. L., additional, Woliński, K., additional, Wong, A. T., additional, Wu, Q., additional, Yang, C., additional, Yu, Q., additional, Zacharias, M., additional, Zhang, Z., additional, Zhao, Y., additional, and Harrison, R. J., additional

Published
2020
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45. Innerklinisches Monitoring des intraabdominellen Drucks beim bary- und polytraumatisierten Patienten

Author

Gessler, R, Cramer, C, Kleinertz, H, Pleizier, M, Mader, K, Frosch, KH, and Nüchtern, J

Subjects
intraabdomineller Druck, ddc: 610, Polytrauma, 610 Medical sciences, Medicine
Abstract

Fragestellung: Bary- und Polytraumata gelten als eine der häufigsten Todesursachen und Verursacher bleibender Behinderungen weltweit bei Personen unter 40 Jahren und nehmen in ihrer Fallzahl, insbesondere in Entwicklungsländern, zu. Ein drohendes letales Multiorganversagen stellt auch nach[zum vollständigen Text gelangen Sie über die oben angegebene URL], Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2019)

Published
2019
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47. Beckengurtlage bei Schockraumpatienten

Author

Pleizier, M, Kothe, S, Gessler, R, Cramer, C, Frosch, KH, Nüchtern, JV, Pleizier, M, Kothe, S, Gessler, R, Cramer, C, Frosch, KH, and Nüchtern, JV

Published
2019

49. Ethylene Polymerization by Zirconocene Catalysis

Author

Das, P. K., primary, Dockter, D. W., additional, Fahey, D. R., additional, Lauffer, D. E., additional, Hawkins, G. D., additional, Li, J., additional, Zhu, T., additional, Cramer, C. J., additional, Truhlar, Donald G., additional, Dapprich, S., additional, Froese, R. D. J., additional, Holthausen, M. C., additional, Liu, Z., additional, Mogi, K., additional, Vyboishchikov, S., additional, Musaev, D. G., additional, and Morokuma, K., additional

Published
1999
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