'Only the Initiates Will Have the Secrets Revealed': Computational Chemists and the Openness of Scientific Software
| Autor: | Frédéric Wieber, Alexandre Hocquet |
|---|---|
| Přispěvatelé: | Archives Henri-Poincaré - Philosophie et Recherches sur les Sciences et les Technologies (AHP-PReST), Université de Strasbourg (UNISTRA)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
General Computer Science
business.industry 05 social sciences Physics - History and Philosophy of Physics 050801 communication & media studies Context (language use) 050905 science studies Scientific modelling Data science [SHS.HISPHILSO]Humanities and Social Sciences/History Philosophy and Sociology of Sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Computer Science - Computers and Society 0508 media and communications Molecular modelling Software History and Philosophy of Science Physics - Chemical Physics Openness to experience Mailing list 0509 other social sciences Element (criminal law) business Pharmaceutical industry [PHYS.PHYS.PHYS-HIST-PH]Physics [physics]/Physics [physics]/History of Physics [physics.hist-ph] |
| Zdroj: | IEEE Annals of the History of Computing IEEE Annals of the History of Computing, Institute of Electrical and Electronics Engineers, 2017, 39 (4), pp.40-58. ⟨10.1109/MAHC.2018.1221048⟩ |
| ISSN: | 1058-6180 |
| Popis: | International audience; Computational chemistry is a scientific field within which the computer is a pivotal element. This scientific community emerged in the 1980s and was involved with two major industries: the computer manufacturers and the pharmaceutical industry, the latter becoming a potential market for the former through molecular modeling software packages. We aim to address the difficult relationships between scientific modeling methods and the software implementing these methods throughout the 1990s. Developing, using, licensing, and distributing software leads to multiple tensions among the actors in intertwined academic and industrial contexts. The Computational Chemistry mailing List (CCL), created in 1991, constitutes a valuable corpus for revealing the tensions associated with software within the community. We analyze in detail two flame wars that exemplify these tensions. We conclude that models and software must be addressed together. Interrelations between both imply that openness in computational science is complex. |
| Databáze: | OpenAIRE |
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