Author: "Blum, Volker" / Publisher: american chemical society (acs) - Searchworks@Jio Institute Digital Library Search Results

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36 results on '"Blum, Volker"'

1. Roadmap on Data-Centric Materials Science

Author: Scheffler, Matthias, primary, Bauer, Stefan, additional, Benner, Peter, additional, Bereau, Tristan, additional, Blum, Volker, additional, Boley, Mario, additional, Carbogno, Christian, additional, Catlow, C. Richard A., additional, Dehm, Gerhard, additional, Eibl, Sebastian, additional, Ernstorfer, Ralph, additional, Fekete, Ádám, additional, Foppa, Lucas, additional, Fratzl, Peter, additional, Freysoldt, Christoph, additional, Gault, Baptiste, additional, Ghiringhelli, Luca M., additional, Giri, Sajal K., additional, Gladyshev, Anton, additional, Goyal, Pawan, additional, Hattrick-Simpers, Jason, additional, Kabalan, Lara, additional, Karpov, Petr, additional, Khorrami, Mohammad S., additional, Koch, Christoph, additional, Kokott, Sebastian, additional, Kosch, Thomas, additional, Kowalec, Igor, additional, Kremer, Kurt, additional, Leitherer, Andreas, additional, Li, Yue, additional, Liebscher, Christian H., additional, Logsdail, Andrew J., additional, Lu, Zhongwei, additional, Luong, Felix, additional, Marek, Andreas, additional, Merz, Florian, additional, Mianroodi, Jaber R., additional, Neugebauer, Jörg, additional, Pei, Zongrui, additional, Purcell, Thomas A. R., additional, Raabe, Dierk, additional, Rampp, Markus, additional, Rossi, Mariana, additional, Rost, Jan-Michael, additional, Saal, James, additional, Saalmann, Ulf, additional, Sasidhar, Kasturi Narasimha, additional, Saxena, Alaukik, additional, Sbailò, Luigi, additional, Scheidgen, Markus, additional, Schloz, Marcel, additional, Schmidt, Daniel F., additional, Teshuva, Simon, additional, Trunschke, Annette, additional, Wei, Ye, additional, Weikum, Gerhard, additional, Xian, R. Patrick, additional, Yao, Yi, additional, Yin, Junqi, additional, and Zhao, Meng, additional
Published: 2024
Full Text: View/download PDF

2. Roadmap on Data-Centric Materials Science

Author: Scheffler, Matthias, primary, Bauer, Stefan, additional, Benner, Peter, additional, Bereau, Tristan, additional, Blum, Volker, additional, Boley, Mario, additional, Carbogno, Christian, additional, Catlow, C. Richard A., additional, Dehm, Gerhard, additional, Eibl, Sebastian, additional, Ernstorfer, Ralph, additional, Fekete, Ádám, additional, Foppa, Lucas, additional, Fratzl, Peter, additional, Freysoldt, Christoph, additional, Gault, Baptiste, additional, Ghiringhelli, Luca M., additional, Giri, Sajal K., additional, Gladyshev, Anton, additional, Goyal, Pawan, additional, Hattrick-Simpers, Jason, additional, Kabalan, Lara, additional, Karpov, Petr, additional, Khorrami, Mohammad S., additional, Koch, Christoph, additional, Kokott, Sebastian, additional, Kosch, Thomas, additional, Kowalec, Igor, additional, Kremer, Kurt, additional, Leitherer, Andreas, additional, Li, Yue, additional, Liebscher, Christian H., additional, Logsdail, Andrew J., additional, Lu, Zhongwei, additional, Luong, Felix, additional, Marek, Andreas, additional, Merz, Florian, additional, Mianroodi, Jaber R., additional, Neugebauer, Jörg, additional, Pei, Zongrui, additional, Purcell, Thomas A. R., additional, Raabe, Dierk, additional, Rampp, Markus, additional, Rossi, Mariana, additional, Rost, Jan-Michael, additional, Saal, James, additional, Saalmann, Ulf, additional, Sasidhar, Kasturi Narasimha, additional, Saxena, Alaukik, additional, Sbailò, Luigi, additional, Scheidgen, Markus, additional, Schloz, Marcel, additional, Schmidt, Daniel F., additional, Teshuva, Simon, additional, Trunschke, Annette, additional, Wei, Ye, additional, Weikum, Gerhard, additional, Xian, R. Patrick, additional, Yao, Yi, additional, Yin, Junqi, additional, and Zhao, Meng, additional
Published: 2024
Full Text: View/download PDF

3. Roadmap on Data-Centric Materials Science

Author: Scheffler, Matthias, primary, Bauer, Stefan, additional, Benner, Peter, additional, Bereau, Tristan, additional, Blum, Volker, additional, Boley, Mario, additional, Carbogno, Christian, additional, Catlow, C. Richard A., additional, Dehm, Gerhard, additional, Eibl, Sebastian, additional, Ernstorfer, Ralph, additional, Fekete, Ádám, additional, Foppa, Lucas, additional, Fratzl, Peter, additional, Freysoldt, Christoph, additional, Gault, Baptiste, additional, Ghiringhelli, Luca M., additional, Giri, Sajal K., additional, Gladyshev, Anton, additional, Goyal, Pawan, additional, Hattrick-Simpers, Jason, additional, Kabalan, Lara, additional, Karpov, Petr, additional, Khorrami, Mohammad S., additional, Koch, Christoph, additional, Kokott, Sebastian, additional, Kosch, Thomas, additional, Kowalec, Igor, additional, Kremer, Kurt, additional, Leitherer, Andreas, additional, Li, Yue, additional, Liebscher, Christian H., additional, Logsdail, Andrew J., additional, Lu, Zhongwei, additional, Luong, Felix, additional, Marek, Andreas, additional, Merz, Florian, additional, Mianroodi, Jaber R., additional, Neugebauer, Jörg, additional, Purcell, Thomas A. R., additional, Raabe, Dierk, additional, Rampp, Markus, additional, Rossi, Mariana, additional, Rost, Jan-Michael, additional, Saalmann, Ulf, additional, Saxena, Alaukik, additional, Sbailò, Luigi, additional, Scheidgen, Markus, additional, Schloz, Marcel, additional, Schmidt, Daniel F., additional, Teshuva, Simon, additional, Trunschke, Annette, additional, Wei, Ye, additional, Weikum, Gerhard, additional, Xian, R. Patrick, additional, Yao, Yi, additional, and Zhao, Meng, additional
Published: 2024
Full Text: View/download PDF

4. Impact of Chiral Symmetry Breaking on Spin-Texture and Lone Pair Expression in Chiral Crystals of Hybrid Antimony and Bismuth Halides

Author: Maughan, Annalise E., primary, Koknat, Gabrielle, additional, Sercel, Peter C., additional, Jana, Manoj K., additional, Brunecky, Roman, additional, Mitzi, David B., additional, Berry, Joseph J., additional, Blum, Volker, additional, and Beard, Matthew C., additional
Published: 2023
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5. Chiral Cation Doping for Modulating Structural Symmetry of 2D Perovskites

Author: Xie, Yi, primary, Morgenstein, Jack, additional, Bobay, Benjamin G., additional, Song, Ruyi, additional, Caturello, Naidel A. M. S., additional, Sercel, Peter C., additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2023
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6. Metal Halide Perovskite Heterostructures: Blocking Anion Diffusion with Single-Layer Graphene

Author: Hautzinger, Matthew P., primary, Raulerson, Emily K., additional, Harvey, Steven P., additional, Liu, Tuo, additional, Duke, Daniel, additional, Qin, Xixi, additional, Scheidt, Rebecca A., additional, Wieliczka, Brian M., additional, Phillips, Alan J., additional, Graham, Kenneth R., additional, Blum, Volker, additional, Luther, Joseph M., additional, Beard, Matthew C., additional, and Blackburn, Jeffrey L., additional
Published: 2023
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7. Phase Stability, Band Gap Tuning, and Rashba Splitting in Selenium-Alloyed Bournonite: CuPbSb(S1–xSex)3

Author: Chang, Eric T., primary, Koknat, Gabrielle, additional, Wessler, Garrett C. McKeown, additional, Yao, Yi, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2023
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8. Large Scale Quantum Chemistry with Tensor Processing Units

Author: Pederson, Ryan, primary, Kozlowski, John, additional, Song, Ruyi, additional, Beall, Jackson, additional, Ganahl, Martin, additional, Hauru, Markus, additional, Lewis, Adam G. M., additional, Yao, Yi, additional, Mallick, Shrestha Basu, additional, Blum, Volker, additional, and Vidal, Guifre, additional
Published: 2022
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9. Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks

Author: Tahir, Muhammad N., primary, Zhu, Tong, additional, Shang, Honghui, additional, Li, Jia, additional, Blum, Volker, additional, and Ren, Xinguo, additional
Published: 2022
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10. Kinetically Controlled Structural Transitions in Layered Halide-Based Perovskites: An Approach to Modulate Spin Splitting

Author: Xie, Yi, primary, Song, Ruyi, additional, Singh, Akash, additional, Jana, Manoj K., additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2022
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11. Influence of Annealing and Composition on the Crystal Structure of Mixed-Halide, Ruddlesden–Popper Perovskites

Author: Wright, Niara E., primary, Qin, Xixi, additional, Xu, Junwei, additional, Kelly, Leah L., additional, Harvey, Steven P., additional, Toney, Michael F., additional, Blum, Volker, additional, and Stiff-Roberts, Adrienne D., additional
Published: 2022
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12. All-Electron BSE@GW Method for K-Edge Core Electron Excitation Energies

Author: Yao, Yi, primary, Golze, Dorothea, additional, Rinke, Patrick, additional, Blum, Volker, additional, and Kanai, Yosuke, additional
Published: 2022
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13. Cubic Crystal Structure Formation and Optical Properties within the Ag–BII–MIV–X (BII = Sr, Pb; MIV = Si, Ge, Sn; X = S, Se) Family of Semiconductors

Author: McKeown Wessler, Garrett C., primary, Wang, Tianlin, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2022
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14. Structural, Optical, and Electronic Properties of Two Quaternary Chalcogenide Semiconductors: Ag2SrSiS4 and Ag2SrGeS4

Author: McKeown Wessler, Garrett C., primary, Wang, Tianlin, additional, Sun, Jon-Paul, additional, Liao, Yuheng, additional, Fischer, Martin C., additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2021
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15. Mechanism of Additive-Assisted Room-Temperature Processing of Metal Halide Perovskite Thin Films

Author: Abdelsamie, Maged, primary, Li, Tianyang, additional, Babbe, Finn, additional, Xu, Junwei, additional, Han, Qiwei, additional, Blum, Volker, additional, Sutter-Fella, Carolin M., additional, Mitzi, David B., additional, and Toney, Michael F., additional
Published: 2021
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16. Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport

Author: Lu, Haipeng, primary, Xiao, Chuanxiao, additional, Song, Ruyi, additional, Li, Tianyang, additional, Maughan, Annalise E., additional, Levin, Andrew, additional, Brunecky, Roman, additional, Berry, Joseph J., additional, Mitzi, David B., additional, Blum, Volker, additional, and Beard, Matthew C., additional
Published: 2020
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17. Correction to Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design

Author: Sun, Jon-Paul, primary, McKeown Wessler, Garrett C., additional, Wang, Tianlin, additional, Zhu, Tong, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2020
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18. Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design

Author: Sun, Jon-Paul, primary, McKeown Wessler, Garrett C., additional, Wang, Tianlin, additional, Zhu, Tong, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2020
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19. Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite

Author: Jana, Manoj K., primary, Liu, Chi, additional, Lidin, Sven, additional, Dirkes, David J., additional, You, Wei, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2019
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20. Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation

Author: Jana, Manoj K., primary, Janke, Svenja M., additional, Dirkes, David J., additional, Dovletgeldi, Seyitliyev, additional, Liu, Chi, additional, Qin, Xixi, additional, Gundogdu, Kenan, additional, You, Wei, additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2019
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21. Band Gap Tailoring and Structure-Composition Relationship within the Alloyed Semiconductor Cu2BaGe1–xSnxSe4

Author: Wessler, Garrett C., primary, Zhu, Tong, additional, Sun, Jon-Paul, additional, Harrell, Alexis, additional, Huhn, William P., additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2018
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22. Efficient Implicit Solvation Method for Full Potential DFT

Author: Sinstein, Markus, primary, Scheurer, Christoph, additional, Matera, Sebastian, additional, Blum, Volker, additional, Reuter, Karsten, additional, and Oberhofer, Harald, additional
Published: 2017
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23. I2–II–IV–VI4 (I = Cu, Ag; II = Sr, Ba; IV = Ge, Sn; VI = S, Se): Chalcogenides for Thin-Film Photovoltaics

Author: Zhu, Tong, primary, Huhn, William P., additional, Wessler, Garrett C., additional, Shin, Donghyeop, additional, Saparov, Bayrammurad, additional, Mitzi, David B., additional, and Blum, Volker, additional
Published: 2017
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24. Long-Lived 13C2 Nuclear Spin States Hyperpolarized by Parahydrogen in Reversible Exchange at Microtesla Fields

Author: Zhou, Zijian, primary, Yu, Jin, additional, Colell, Johannes F. P., additional, Laasner, Raul, additional, Logan, Angus, additional, Barskiy, Danila A., additional, Shchepin, Roman V., additional, Chekmenev, Eduard Y., additional, Blum, Volker, additional, Warren, Warren S., additional, and Theis, Thomas, additional
Published: 2017
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25. Thermodynamic Equilibria in Carbon Nitride Photocatalyst Materials and Conditions for the Existence of Graphitic Carbon Nitride g-C3N4

Author: Botari, Tiago, primary, Huhn, William Paul, additional, Lau, Vincent Wing-hei, additional, Lotsch, Bettina V., additional, and Blum, Volker, additional
Published: 2017
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26. The Elephant in the Room of Density Functional Theory Calculations

Author: Jensen, Stig Rune, primary, Saha, Santanu, additional, Flores-Livas, José A., additional, Huhn, William, additional, Blum, Volker, additional, Goedecker, Stefan, additional, and Frediani, Luca, additional
Published: 2017
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27. BaCu2Sn(S,Se)4: Earth-Abundant Chalcogenides for Thin-Film Photovoltaics

Author: Shin, Donghyeop, primary, Saparov, Bayrammurad, additional, Zhu, Tong, additional, Huhn, William P., additional, Blum, Volker, additional, and Mitzi, David B., additional
Published: 2016
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28. Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy

Author: Tu, Qing, primary, Lange, Björn, additional, Parlak, Zehra, additional, Lopes, Joao Marcelo J., additional, Blum, Volker, additional, and Zauscher, Stefan, additional
Published: 2016
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29. First-Principles Molecular Structure Search with a Genetic Algorithm

Author: Supady, Adriana, primary, Blum, Volker, additional, and Baldauf, Carsten, additional
Published: 2015
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30. Low-Molecular-Weight Carbon Nitrides for Solar Hydrogen Evolution

Author: Lau, Vincent Wing-hei, primary, Mesch, Maria B., additional, Duppel, Viola, additional, Blum, Volker, additional, Senker, Jürgen, additional, and Lotsch, Bettina V., additional
Published: 2015
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31. Isomerism and Structural Fluxionality in the Au26 and Au26– Nanoclusters

Author: Schaefer, Bastian, primary, Pal, Rhitankar, additional, Khetrapal, Navneet S., additional, Amsler, Maximilian, additional, Sadeghi, Ali, additional, Blum, Volker, additional, Zeng, Xiao Cheng, additional, Goedecker, Stefan, additional, and Wang, Lai-Sheng, additional
Published: 2014
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32. Validation Challenge of Density-Functional Theory for Peptides—Example of Ac-Phe-Ala5-LysH+

Author: Rossi, Mariana, primary, Chutia, Sucismita, additional, Scheffler, Matthias, additional, and Blum, Volker, additional
Published: 2014
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33. Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer

Author: Heine, Nadja, primary, Fagiani, Matias R., additional, Rossi, Mariana, additional, Wende, Torsten, additional, Berden, Giel, additional, Blum, Volker, additional, and Asmis, Knut R., additional
Published: 2013
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34. Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length

Author: Rossi, Mariana, primary, Scheffler, Matthias, additional, and Blum, Volker, additional
Published: 2013
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35. Water Adsorption at Two Unsolvated Peptides with a Protonated Lysine Residue: From Self-Solvation to Solvation

Author: Chutia, Sucismita, primary, Rossi, Mariana, additional, and Blum, Volker, additional
Published: 2012
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36. Secondary Structure of Ac-Alan-LysH+ Polyalanine Peptides (n = 5,10,15) in Vacuo: Helical or Not?

Author: Rossi, Mariana, primary, Blum, Volker, additional, Kupser, Peter, additional, von Helden, Gert, additional, Bierau, Frauke, additional, Pagel, Kevin, additional, Meijer, Gerard, additional, and Scheffler, Matthias, additional
Published: 2010
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