Journal ArticleDOI
VPython: 3D interactive scientific graphics for students
D. Scherer,P. Dubois,B. Sherwood +2 more
- Vol. 2, Iss: 5, pp 56-62
TLDR
VPython as mentioned in this paper is an easy-to-use package for interactive 3D graphics, allowing even beginning physics students without prior programming experience to write programs with real-time 3D visualizations.Abstract:
VPython, a remarkable easy-to-use package for interactive 3D graphics, lets even beginning physics students without prior programming experience write programs with real time 3D visualizations. Developed at Carnegie Mellon University, VPython is part of an effort to develop a more modern first-year physics curriculum.read more
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Journal ArticleDOI
CHARMM: the biomolecular simulation program.
Bernard R. Brooks,Charles L. Brooks,Alexander D. MacKerell,Lennart Nilsson,Robert J. Petrella,Benoît Roux,Youngdo Won,Georgios Archontis,Christian Bartels,Stefan Boresch,Amedeo Caflisch,Leo S. D. Caves,Qiang Cui,Aaron R. Dinner,Michael Feig,Stefan Fischer,Jiali Gao,Milan Hodošček,Wonpil Im,K. Kuczera,Themis Lazaridis,Jianpeng Ma,V. Ovchinnikov,Emanuele Paci,Richard W. Pastor,Carol Beth Post,Jingzhi Pu,M. Schaefer,Bruce Tidor,Richard M. Venable,H. L. Woodcock,Xiongwu Wu,Wei Yang,Darrin M. York,Martin Karplus,Martin Karplus +35 more
TL;DR: An overview of the CHARMM program as it exists today is provided with an emphasis on developments since the publication of the original CHARMM article in 1983.
Journal ArticleDOI
RETRACTED ARTICLE: Theory-guided Sn/Cu alloying for efficient CO2 electroreduction at low overpotentials
Xueli Zheng,Yongfei Ji,Yongfei Ji,Jing Tang,Jiangyan Wang,Bofei Liu,Hans-Georg Steinrück,Kipil Lim,Kipil Lim,Yuzhang Li,Michael F. Toney,Karen Chan,Yi Cui,Yi Cui +13 more
TL;DR: Cui et al. as mentioned in this paper used density functional theory to investigate the effect of alloying Cu and Sn on the activity and selectivity towards formate, and reported that the designed CuSn3 catalysts by co-electrodeposition exhibit a Faradaic efficiency of 95% toward formate generation at −0.5'V versus RHE.
Journal ArticleDOI
Automated scientific software scripting with SWIG
TL;DR: Although SWIG has been in use for more than 6 years, little has been published on its design and the underlying mechanisms that make it work and the primary goal of this paper is to cover these topics.
Journal ArticleDOI
Increasing women's participation in computing at Harvey Mudd College
Journal ArticleDOI
Computational physics in the introductory calculus-based course
Ruth Chabay,Bruce Sherwood +1 more
TL;DR: In this article, the integration of computation into the introductory calculus-based physics course can potentially provide significant support for the development of conceptual understanding, which can support three-dimensional visualizations of abstract quantities, offer opportunities to construct symbolic rather than numeric solutions to problems, and provide experience with the use of vectors as coordinate-free entities.