General Atomic and Molecular Electronic Structure System (GAMESS (US)) は、量子化学計算のためのコンピュータソフトウェアである[1][2][3][4]。オリジナルコードは1977年10月1日に「National Resources for Computations in Chemistry project」として開始された[5]。1981年に、コードはGAMESS (US) とGAMESS (UK) に分かれ、現在はかなり差異がある。GAMESS (US) はアイオワ州立大学のゴードン研究グループのメンバーによってメンテナンスされている[6]。GAMESS (US) は無償で入手可能であるが、ライセンス制限のためオープンソースではない。
機能
GAMESS (US) の基本機能の要約 （C - 積分をディスクに保存: conventional SCF法, D - AOをディスクに保存しない: direct SCF法, p - パラレル実行, F - フラグメントMO法互換性）
^Young, David C. (2001). “Appendix A. A.2.3 GAMESS”. Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems. Wiley-Interscience. p. 335. doi:10.1002/0471220655. ISBN978-0471333685
^Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.; Elbert, Steven T.; Gordon, Mark S.; Jensen, Jan H.; Koseki, Shiro; Matsunaga, Nikita et al. (1993). “General atomic and molecular electronic structure system”. Journal of Computational Chemistry14 (11): 1347–1363. doi:10.1002/jcc.540141112.
^Gordon, Mark S.; Schmidt, Michael W. (2005). “Advances in electronic structure theory: GAMESS a decade later”. In C. E. Dykstra, G. Frenking. K. S. Lim and G. E. Scusaria. Theory and Applications of Computational Chemistry, the first 40 years. Amsterdam: Elsevier. ISBN978-0444517197
^As of March 2010, the GAMESS code lists its contributors as:
Michael Schmidt, Kimberly Baldridge, Jerry Boatz, Stephen Elbert,
Mark Gordon, Jan Jensen, Shiro Koseki, Nikita Matsunaga,
Kiet Nguyen, Shujun Su, Theresa Windus,
Michel Dupuis, John Montgomery,
Ivana Adamovic, Christine Aikens, Yuri Alexeev, Pooja Arora,
Andrey Asadchev, Rob Bell, Pradipta Bandyopadhyay, Jonathan Bentz,
Brett Bode, Galina Chaban, Wei Chen, Cheol Ho Choi, Paul Day, Tim Dudley,
Dmitri Fedorov, Graham Fletcher, Mark Freitag, Kurt Glaesemann, Dan Kemp,
Grant Merrill, Jonathan Mullin, Takeshi Nagata, Sean Nedd,
Heather Netzloff, Bosiljka Njegic, Ryan Olson, Mike Pak, Jim Shoemaker,
Lyudmila Slipchenko, Sarom Sok, Jie Song, Tetsuya Taketsugu,
Simon Webb, Soohaeng Yoo, Federico Zahariev, Joe Ivanic, Laimutis Bytautas,
Klaus Ruedenberg,Kimihiko Hirao, Takahito Nakajima,
Takao Tsuneda, Muneaki Kamiya, Susumu Yanagisawa,
Kiyoshi Yagi, Mahito Chiba, Seiken Tokura, Naoaki Kawakami,
Frank Jensen,
Visvaldas Kairys, Hui Li,
Walt Stevens, David Garmer,
Benedetta Mennucci, Jacopo Tomasi,
Henry Kurtz, Prakashan Korambath,
Toby Zeng, Mariusz Klobukowski,
Mark Spackman,
Hiroaki Umeda,
Karol Kowalski, Marta Wloch, Jeffrey Gour, Jesse Lutz, Piotr Piecuch,
Monika Musial, Stanislaw Kucharski,
Olivier Quinet, Benoit Champagne,
Bernard Kirtman,
Kazuya Ishimura And Shigeru Nagase,
Dan Chipman,
Haruyuki Nakano,
Feng Long Gu, Jacek Korchowiec, Marcin Makowski, And Yuriko Aoki,
Hirotoshi Mori And Eisaku Miyoshi,
Tzvetelin Iordanov, Chet Swalina, Jonathan Skone,
Sharon Hammes-Schiffer,
Masato Kobayashi, Tomoko Akama, Hiromi Nakai,
Peifeng Su, Dejun Si, Yali Wang, Hui Li
