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1. A Decade with VAMDC: Results and Ambitions

Author

Damien Albert, Bobby K. Antony, Yaye Awa Ba, Yuri L. Babikov, Philippe Bollard, Vincent Boudon, Franck Delahaye, Giulio Del Zanna, Milan S. Dimitrijević, Brian J. Drouin, Marie-Lise Dubernet, Felix Duensing, Masahiko Emoto, Christian P. Endres, Alexandr Z. Fazliev, Jean-Michel Glorian, Iouli E. Gordon, Pierre Gratier, Christian Hill, Darko Jevremović, Christine Joblin, Duck-Hee Kwon, Roman V. Kochanov, Erumathadathil Krishnakumar, Giuseppe Leto, Petr A. Loboda, Anastasiya A. Lukashevskaya, Oleg M. Lyulin, Bratislav P. Marinković, Andrew Markwick, Thomas Marquart, Nigel J. Mason, Claudio Mendoza, Tom J. Millar, Nicolas Moreau, Serguei V. Morozov, Thomas Möller, Holger S. P. Müller, Giacomo Mulas, Izumi Murakami, Yury Pakhomov, Patrick Palmeri, Julien Penguen, Valery I. Perevalov, Nikolai Piskunov, Johannes Postler, Alexei I. Privezentsev, Pascal Quinet, Yuri Ralchenko, Yong-Joo Rhee, Cyril Richard, Guy Rixon, Laurence S. Rothman, Evelyne Roueff, Tatiana Ryabchikova, Sylvie Sahal-Bréchot, Paul Scheier, Peter Schilke, Stephan Schlemmer, Ken W. Smith, Bernard Schmitt, Igor Yu. Skobelev, Vladimir A. Srecković, Eric Stempels, Serguey A. Tashkun, Jonathan Tennyson, Vladimir G. Tyuterev, Charlotte Vastel, Veljko Vujčić, Valentine Wakelam, Nicholas A. Walton, Claude Zeippen, and Carlo Maria Zwölf

Subjects
scientific databases, atomic and molecular data, interoperability, FAIR principles, open access, Nuclear and particle physics. Atomic energy. Radioactivity, QC770-798
Abstract

This paper presents an overview of the current status of the Virtual Atomic and Molecular Data Centre (VAMDC) e-infrastructure, including the current status of the VAMDC-connected (or to be connected) databases, updates on the latest technological development within the infrastructure and a presentation of some application tools that make use of the VAMDC e-infrastructure. We analyse the past 10 years of VAMDC development and operation, and assess their impact both on the field of atomic and molecular (A&M) physics itself and on heterogeneous data management in international cooperation. The highly sophisticated VAMDC infrastructure and the related databases developed over this long term make them a perfect resource of sustainable data for future applications in many fields of research. However, we also discuss the current limitations that prevent VAMDC from becoming the main publishing platform and the main source of A&M data for user communities, and present possible solutions under investigation by the consortium. Several user application examples are presented, illustrating the benefits of VAMDC in current research applications, which often need the A&M data from more than one database. Finally, we present our vision for the future of VAMDC.

Published
2020
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2. Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database

Author

Iouli E. Gordon, Jonathan Tennyson, Valery I. Perevalov, Laurence S. Rothman, S.A. Tashkun, Anastasiya A. Lukashevskaya, Sergey N. Yurchenko, Robert J. Hargreaves, and Holger S. P. Müller

Subjects
Earth and Planetary Astrophysics (astro-ph.EP), Radiation, 010504 meteorology & atmospheric sciences, Database, Thermodynamic equilibrium, Computer science, Ab initio, FOS: Physical sciences, computer.software_genre, 01 natural sciences, Atomic and Molecular Physics, and Optics, Line list, HITRAN, Line (text file), computer, Spectroscopy, Astrophysics - Earth and Planetary Astrophysics, 0105 earth and related environmental sciences
Abstract

This work describes the update of NO along with the incorporation of NO$_{2}$ and N$_{2}$O to the HITEMP database. Where appropriate, the HITRAN line lists for the same molecules have also been updated. This work brings the current number of molecules provided by HITEMP to seven. The initial line lists originating from \textit{ab initio} and semi-empirical methods for each molecule have been carefully validated against available observations and, where necessary, adjustments have been made to match observations. We anticipate this work will be applied to a variety of high-temperature environments including astronomical applications, combustion monitoring, and non-local thermodynamic equilibrium conditions.

Published
2019

3. A Decade with VAMDC: Results and Ambitions

Author

Carlo Maria Zwölf, A. J. Markwick, Anastasiya A. Lukashevskaya, Tom J. Millar, Patrick Palmeri, M. Emoto, Yuri Ralchenko, Thomas Marquart, Felix Duensing, Evelyne Roueff, Duck-Hee Kwon, Pascal Quinet, Johannes Postler, Julien Penguen, Izumi Murakami, Vincent Boudon, Bobby Antony, Paul Scheier, Milan S. Dimitrijević, Christine Joblin, Valery I. Perevalov, Vladimir G. Tyuterev, Jean-Michel Glorian, Tatiana Ryabchikova, Valentine Wakelam, E. Krishnakumar, Igor Y.-U. Skobelev, Philippe Bollard, Guy Rixon, Laurence S. Rothman, Sylvie Sahal-Bréchot, Giacomo Mulas, Damien Albert, Nicolas Moreau, Bernard Schmitt, Alexandr Z. Fazliev, Peter Schilke, Giulio Del Zanna, Stephan Schlemmer, Eric Stempels, Nicholas A. Walton, Bratislav P. Marinković, Serguey A. Tashkun, Charlotte Vastel, Yury Pakhomov, Claudio Mendoza, K. W. Smith, Thomas Möller, Oleg M. Lyulin, Brian J. Drouin, Roman V. Kochanov, Alexei I. Privezentsev, Vladimir A. Srećković, Darko Jevremović, Giuseppe Leto, Iouli E. Gordon, Serguei V. Morozov, Nigel J. Mason, C. J. Zeippen, Yong-Joo Rhee, Petr A. Loboda, Veljko Vujčić, Pierre Gratier, Jonathan Tennyson, Marie-Lise Dubernet, Cyril Richard, Franck Delahaye, Christian Hill, Yuri L. Babikov, Christian P. Endres, Holger S. P. Müller, Nikolai Piskunov, Yaye Awa Ba, Institut de Planétologie et d'Astrophysique de Grenoble (IPAG), Centre National d'Études Spatiales [Toulouse] (CNES)-Observatoire des Sciences de l'Univers de Grenoble (OSUG ), Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA), Department of Environmental, Earth, and Atmospheric Sciences [Lowell], University of Massachusetts [Lowell] (UMass Lowell), University of Massachusetts System (UMASS)-University of Massachusetts System (UMASS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA (UMR_8112)), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), FORMATION STELLAIRE 2020, Laboratoire d'Astrophysique de Bordeaux [Pessac] (LAB), Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de recherche en astrophysique et planétologie (IRAP), Institut national des sciences de l'Univers (INSU - CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS), LERMA Cergy (LERMA), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, INAF - Osservatorio Astronomico di Cagliari (OAC), Istituto Nazionale di Astrofisica (INAF), Del Zanna, Giulio [0000-0002-4125-0204], Walton, Nicholas [0000-0003-3983-8778], Apollo - University of Cambridge Repository, Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France -Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France, Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique et Atmosphères = Laboratory for Studies of Radiation and Matter in Astrophysics and Atmospheres (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), and Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY)-École normale supérieure - Paris (ENS-PSL)

Subjects
Nuclear and High Energy Physics, 010504 meteorology & atmospheric sciences, Data management, Atom and Molecular Physics and Optics, Interoperability, interoperability, 01 natural sciences, Field (computer science), Resource (project management), 0103 physical sciences, lcsh:Nuclear and particle physics. Atomic energy. Radioactivity, 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, open access, [PHYS]Physics [physics], atomic and molecular data, scientific databases, FAIR principles, business.industry, Condensed Matter Physics, Data science, Atomic and Molecular Physics, and Optics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, lcsh:QC770-798, Data center, Atom- och molekylfysik och optik, business, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract

This paper presents an overview of the current status of the Virtual Atomic and Molecular Data Centre (VAMDC) e-infrastructure, including the current status of the VAMDC-connected (or to be connected) databases, updates on the latest technological development within the infrastructure and a presentation of some application tools that make use of the VAMDC e-infrastructure. We analyse the past 10 years of VAMDC development and operation, and assess their impact both on the field of atomic and molecular (A&amp, M) physics itself and on heterogeneous data management in international cooperation. The highly sophisticated VAMDC infrastructure and the related databases developed over this long term make them a perfect resource of sustainable data for future applications in many fields of research. However, we also discuss the current limitations that prevent VAMDC from becoming the main publishing platform and the main source of A&amp, M data for user communities, and present possible solutions under investigation by the consortium. Several user application examples are presented, illustrating the benefits of VAMDC in current research applications, which often need the A&amp, M data from more than one database. Finally, we present our vision for the future of VAMDC.

Published
2020

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