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Atomic and Molecular Databases Open Science for a sustainable world

Published online by Cambridge University Press:  19 March 2024

M. L. Dubernet*
Affiliation:
LERMA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne University, 5 Place Janssen, 92190 Meudon, France
G.B. Berriman
Affiliation:
Caltech/IPAC–NExScI, 1201 East California Blvd, Pasadena, CA. 91125, USA email: gbb@ipac.caltech.edu
P. Barklem
Affiliation:
Theoretical Astrophysics, Department of Physics and Astronomy, Uppsala University, Box 516, S 75120 Uppsala, Sweden; email: paul.barklem@physics.uu.se
K. Choi
Affiliation:
Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea emails: knchoi@kisti.re.kr, jaesoo@kisti.re.kr, hanna.shmagun@kisti.re.kr, dmseo@kisti.re.kr, maximus74.shin@gmail.com
A. Foster
Affiliation:
Harvard-Smithsonian Center for Astrophysics, 60 Garden St, Cambridge MA 02138, USA emails: afoster@cfa.harvard.edu, igordon@cfa.harvard.edu
I. Gordon
Affiliation:
Harvard-Smithsonian Center for Astrophysics, 60 Garden St, Cambridge MA 02138, USA emails: afoster@cfa.harvard.edu, igordon@cfa.harvard.edu
C. Hill
Affiliation:
International Atomic Energy Agency, Wagramer Strasse 5, PO Box 100, Vienna A-1400, Austria email: ch.hill@iaea.org
J. Kim
Affiliation:
Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea emails: knchoi@kisti.re.kr, jaesoo@kisti.re.kr, hanna.shmagun@kisti.re.kr, dmseo@kisti.re.kr, maximus74.shin@gmail.com
D.H. Kwon
Affiliation:
Nuclear Data Center, Nuclear Physics Application Research Division, Korea Atomic Energy Research Institute, 111, Daedeok-daero 989 beon-gil, Yuseong-gu, Daejeon, 34057, Republic of Korea email: hkwon@kaeri.re.kr
H. Linnartz
Affiliation:
Laboratory for Astrophysics, Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, the Netherlands email: linnartz@strw.leidenuniv.nl
Yu. Ralchenko
Affiliation:
National Institute of Standards and Technology Gaithersburg, MD 20899, USA email: yuri.ralchenko@nist.gov
F. Salama
Affiliation:
Space Science and Astrobiology Division, NASA Ames Research Center, Moffett Field, California 94035, USA email: farid.salama@nasa.gov
H. Shmagun
Affiliation:
Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea emails: knchoi@kisti.re.kr, jaesoo@kisti.re.kr, hanna.shmagun@kisti.re.kr, dmseo@kisti.re.kr, maximus74.shin@gmail.com
P. Schilke
Affiliation:
I. Physikalisches Institut der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln, Germany email: schilke@ph1.uni-koeln.de
D. Seo
Affiliation:
Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea emails: knchoi@kisti.re.kr, jaesoo@kisti.re.kr, hanna.shmagun@kisti.re.kr, dmseo@kisti.re.kr, maximus74.shin@gmail.com
J. Shim
Affiliation:
School of Computing, Korea Advanced Institute of Science and Technology, Republic of Korea email: hl1iit@kaist.ac.kr
S. Shin
Affiliation:
Korea Institute of Science and Technology Information, 245 Daehak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea emails: knchoi@kisti.re.kr, jaesoo@kisti.re.kr, hanna.shmagun@kisti.re.kr, dmseo@kisti.re.kr, maximus74.shin@gmail.com
M.-Y. Song
Affiliation:
Institute of Plasma Technology, Korea Institute of Fusion Energy(KFE), 37, Dongjangsan-ro, Gunsan, Jeollabuk-do, 54004, Republic of Korea email: mysong@kfe.re.kr
J. Tennyson
Affiliation:
Department of Physics and Astronomy, University College London, London WC1E 6BT, UK email: j.tennyson@ucl.ac.uk
C. Vastel
Affiliation:
IRAP, Université de Toulouse, CNRS, CNES, UPS, (Toulouse), France email: cvastel@irap.omp.eu

Abstract

The building of online atomic and molecular databases for astrophysics and for other research fields started with the beginning of the internet. These databases have encompassed different forms: databases of individual research groups exposing their own data, databases providing collected data from the refereed literature, databases providing evaluated compilations, databases providing repositories for individuals to deposit their data, and so on. They were, and are, the replacement for literature compilations with the goal of providing more complete and in particular easily accessible data services to the users communities. Such initiatives involve not only scientific work on the data, but also the characterization of data, which comes with the “standardization” of metadata and of the relations between metadata, as recently developed in different communities. This contribution aims at providing a representative overview of the atomic and molecular databases ecosystem, which is available to the astrophysical community and addresses different issues linked to the use and management of data and databases. The information provided in this paper is related to the keynote lecture “Atomic and Molecular Databases: Open Science for better science and a sustainable world” whose slides can be found at DOI : doi.org/10.5281/zenodo.6979352 on the Zenodo repository connected to the “cb5-labastro” Zenodo Community (https://zenodo.org/communities/cb5-labastro).

Type
Contributed Paper
Copyright
© The Author(s), 2024. Published by Cambridge University Press on behalf of International Astronomical Union

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References

Albert, D., Anthony, B.L., Ba, Y.A. et al. 2020, Atoms, 8, 76. DOI = 10.3390/atoms8040076 CrossRefGoogle Scholar
Ba, Y.A., Dubernet, M.L., Moreau, N., Zwölf, C.M. 2020, Atoms, vol. 8, number 4, article 69; DOI: 10.3390/atoms8040069 CrossRefGoogle Scholar
Ba, Y.A., Dubernet, M.L., Moreau, N., Zwölf, C.M. 2023, to be published in A&AGoogle Scholar
Barklem, P.S., Barbuy, B., Dubernet, M.L., Ryu, D. et al. 2023, IAU 371 Symposium Proceedings, “IAU B5 commission Activities : Laboratory Astrophysics”, 8th August 2022, IAU 2022 General Assembly, Busan, Eds Soderblom & G. Nave; to be publishedGoogle Scholar
Bauschlicher, C.W., Ricca, A., Boersma, C., Allamandola, L.J. 2018, AJSS, 234, 32; DOI: 10.3847/1538-4365/aaa019 CrossRefGoogle Scholar
Betancourt-Martinez, G., Akamatsu, H., Barret, D., Bautista, M. et al. 2019, BAAS, 51, 537; Bibcode : 2019BAAS…51c.337BGoogle Scholar
Brickhouse, N., Ferland, G. J., Milam, S. et al. 2020, BAAS, 52, 202; DOI: 10.3847/25c2cfeb.10bdb63d CrossRefGoogle Scholar
Compiègne, M., Verstraete, L., Jones, A. et al. 2011, A&A, 525, A103; DOI: 10.1051/0004-6361/201015292 CrossRefGoogle Scholar
Corrales, L.,Valencic, L.,Costantini, E., Garcia, J., Gatuzz, E., Kallman, T. et al. 2019, BAAS, 51, 264; Bibcode : 2019BAAS…51c.264CGoogle Scholar
Cumbee, R. and Stancil, P. and Mcilvane, S. 2021, American Astronomical Society Meeting Abstracts, 53, 126.01; Bibcode: 2021AAS…23812601CGoogle Scholar
Daniel, F., Dubernet, M.-L., Grosjean, A. 2011, A&A, 536, A76+; DOI: 10.1051/0004-6361/201118049 CrossRefGoogle Scholar
Devorkin, D. 2023, IAU 371 Symposium Proceedings, IAU 2022 General Assembly, Busan, 371 Symposium: “Honoring Charlotte Moore Sitterly: Astronomical spectroscopy in the 21st century”, Eds Soderblom & G. Nave; to be publishedGoogle Scholar
Dubernet, M.-L., Boudon, V., Culhane, J. L., et al. 2010, JQRST, 111, 21512159; DOI: 10.1016/j.jqsrt.2010.05.004 CrossRefGoogle Scholar
Dubernet, M.-L., Alexander, M. H., Ba, Y. A., Balakrishnan, N. et al. 2016, A&A, 553, A50; DOI: 10.1051/0004-6361/201220630 CrossRefGoogle Scholar
Dubernet, M.-L., Antony, B. K., Ba, Y.-A., et al. 2016, J. of Physics B, 49, 074003; DOI: 10.1088/0953-4075/49/7/074003 CrossRefGoogle Scholar
Dubernet, M.L., Berriman, G.B., Boersma, C. et al. 2023, IAU 371 Symposium Proceedings, “IAU B2-B5 inter-commission working group session”, 8th August 2022, IAU 2022 General Assembly, Busan, Eds Soderblom & G. Nave; to be publishedGoogle Scholar
Fayolle, Edith C., E.C., Barge, L., Cable, M. et al. 2021, BAAS, 53, 170; DOI: 10.3847/25c2cfeb.f51744bb CrossRefGoogle Scholar
Ferland, G. J. and Chatzikos, M. and Guzmán, F. et al. 2017, Revista Mexicana de Astronoma y Astrofsica, 53, 385–438; Bibcode : 2017RMxAA..53..385FGoogle Scholar
Fortney, J.,Robinson, T. D., Domagal-Goldman, S., Genio, A. D. Del, Gordon, I. E. et al. 2020, Astro2020: Decadal Survey on Astronomy and Astrophysics, 2020, 146; Bibcode: 2019astro2020T.146FGoogle Scholar
Foster, A.R., Ji, L., Smith, R.K., Brickhouse, N.S. 2012, ApJ, 756, 128; DOI: 10.1088/0004-637x/756/2/128 CrossRefGoogle Scholar
Gordon, I. E., Rothman, L. S., Hargreaves, R. J., et al. 2022, JQRST, 277, 107949. doi: 10.1016/j.jqsrt.2021.107949 CrossRefGoogle Scholar
Gudipati, M., Milam, Stefanie N., Hendrix, A. R., Henderson, B. L., Linnartz, H.V. J. et al. 2019, BAAS, 51, 518; Bibcode : 2019BAAS…51c.518GGoogle Scholar
Gustafsson, B. and Edvardsson, B. and Eriksson, K. and Jørgensen, U. G. and Nordlund, Å. and Plez, B. 2008, A&A, 486, 951; DOI: 10.1051/0004-6361:200809724 CrossRefGoogle Scholar
Han, Sangjun, Shin, Jaemin, Lee, Seokhyoung, Junghun, Park 2022, J. of Information Science Theory and Practice, 10, 111; DOI: 10.1633/JISTaP.2022.10.S.1 Google Scholar
Hauschildt, P. H. and Baron, E. 1999, Journal of Computational and Applied Mathematics, 109, 41; Bibcode: 1999JCoAM.109…41HCrossRefGoogle Scholar
Henning, Th . and Il’in, V. B. and Krivova, N. A. and Michel, B. and Voshchinnikov, N. V. 1999, AASS, 136, 405; DOI: 10.1051/aas:1999222 CrossRefGoogle Scholar
Jäger, C. and Il’in, V. B. and Henning, Th. and Mutschke, H. and Fabian, D. and Semenov, D. and Voshchinnikov, N. 2003, JQSRT, 79-80, 765; DOI: 10.1016/S0022-4073(02)00301-1 CrossRefGoogle Scholar
Karman, T., Gordon, I. E., et al. 2019, Icarus, 328, 160175. doi: 10.1016/J.ICARUS.2019.02.034 CrossRefGoogle Scholar
Kramida, A. 2023, IAU 371 Symposium Proceedings, IAU 2022 General Assembly, Busan, 371 Symposium: “Honoring Charlotte Moore Sitterly: Astronomical spectroscopy in the 21st century”, Eds Soderblom & G. Nave; to be publishedGoogle Scholar
Kramida, A., Ralchenko, Yu., Reader, J., and NIST ASD Team 2020, NIST Atomic Spectra Database (ver. 5.7.1), [Online]. Available: https://physics.nist.gov/asd [2020, July 9]. National Institute of Standards and Technology, Gaithersburg, MD.Google Scholar
Le Petit, F., Nehmé, C., Le Bourlot, J., Roueff, E. 2006, ApJS, 164, 506; DOI: 10.1086/503252 CrossRefGoogle Scholar
Martín, S. and Martín-Pintado, J. and Blanco-Sánchez, C. and Rivilla, V. M. and Rodrguez-Franco, A. and Rico-Villas, F. 2019, A&A, 631, A159; DOI: 10.1051/0004-6361/201936144 CrossRefGoogle Scholar
Möller, T. and Endres, C. and Schilke, P. 2017, EDP Sciences, 598, A7; DOI: 10.1051/0004-6361/201527203 CrossRefGoogle Scholar
Moreau, N., Zwölf, C.M., BA, Y.A., et al. 2018, Galaxies, 6, 105; DOI: 10.3390/galaxies6040105 CrossRefGoogle Scholar
Müller, H. S. P. and Schlöder, F. and Stutzki, J. and Winnewisser, G. 2005, J. of Molecular Structure, 742, 215; DOI: 10.1016/j.molstruc.2005.01.027 CrossRefGoogle Scholar
Pickett, H. M., Poynter, R. L., Cohen, E. A., Delitsky, M. L., Pearson, J. C., Müller, H. S. P. 1998, JQRST, 60, 883890; DOI: 10.1016/S0022-4073(98)00091-0 CrossRefGoogle Scholar
Regandell, S., Marquart, T., et Piskunov, N. 2018, Physica Scripta 93, 3 035001; DOI: 10.1088/1402-4896/aaa268 CrossRefGoogle Scholar
Rocha, W. R. M., Perotti, G., Kristensen, L. E., Jørgensen, J. K. 2021, A&A, 654, A158; DOI: 10.1051/0004-6361/202039360 CrossRefGoogle Scholar
Rocha, W. R. M., Rachid, M. G., Olsthoorn, B. et al. 2022, arXiv, 0, 0; DOI: 10.48550/ARXIV.2208.12211 CrossRefGoogle Scholar
Rothman, L. S., Gordon, I. E., Barber, A., et al. 2010, JQRST, 111, 21392150. doi: 10.1016/j.jqsrt.2010.05.001 CrossRefGoogle Scholar
Ryabchikova, T., Pakhomov, Y., Piskunov, N. 2018, Galaxies, 5, 93; DOI: 10.3390/galaxies6030093 CrossRefGoogle Scholar
Salama, F. 2020, Proceedings IAU Symposium No. 350, “Laboratory Astrophysics: from Observations to Interpretation”, Salama, F. & Linnartz, H., eds., CUP, IAU 2020; doi: 10.1017/S1743921320004123 CrossRefGoogle Scholar
Savin, D.W., Babb, J.F., Bellan, P.M., Brogan, C., Cami, J., Caselli, P. et al. 2019, BAAS, 51, 96; Bibcode : 2019BAAS…51c..96SGoogle Scholar
Schöier, F. L. and van der Tak, F. F. S. and van Dishoeck, E. F. and Black, J. H. 2005, A&A, 432, 369379; DOI: 10.1051/0004-6361:20041729 CrossRefGoogle Scholar
Shin, Youngho, Um, Junho, Seo, Dongmin, Shin, Sungho 2022, J. of Information Science Theory and Practice, 10, 2538; DOI: 10.1633/JISTaP.2022.10.S.3 Google Scholar
Shmagun, H., Shim, J., Choi, K.-N., Shin, S. K., Kim, J., & Oppenheim, C. 2022, Journal of Information Science, 0(0); DOI: 10.1177/01655515221107336 CrossRefGoogle Scholar
Smith, R., Hahn, M., Raymond, J., Kallman, T., Ballance, C. P. et al. 2020, J. of Physics B, 53, 092001; DOI: 10.1088/1361-6455/ab69aa CrossRefGoogle Scholar
Smith, R.K., Brickhouse, N.S., Liedahl, D.A., Raymond, J.C. 2012, ApJ, 556, L91; DOI: 10.1086/322992 CrossRefGoogle Scholar
Tennyson, J., Yurchenko, S.N., Al-Refaie abd, A.F., Clark, V.H.J., Chubb, K.L. et al. 2020, JQRST, 255, 107228; DOI: 10.1016/j.jqsrt.2020.107228 CrossRefGoogle Scholar
Wakelam, V. and Herbst, E. and Loison, J.-C. and Smith, I. W. M. et al. 2012, ApJS, 199, 21; DOI: 10.1088/0067-0049/199/1/21 CrossRefGoogle Scholar
Wilkinson, M., Dumontier, M., Aalbergersberg, I. et al. 2016, Sci Data 3, 160018; DOI: 10.1038/sdata.2016.18 CrossRefGoogle Scholar