Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles

Klement, Marco; Lee, Sangmin; Anderson, Joshua A.; Engel, Michael

doi:10.1021/acs.jctc.1c00311

Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles

Journal Article · 13 July 2021 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.1c00311· OSTI ID:1850626

Klement, Marco ^[1]; ^[2]; Anderson, Joshua A. ^[3]; ^[1]

Institute for Multiscale Simulation, IZNF, Friedrich−Alexander University Erlangen−Nürnberg, Erlangen 91058, Germany
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States; Department of Biochemistry, University of Washington, Seattle, Washington 98195, United States
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States

Not provided.

Research Organization:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0000989

OSTI ID:: 1850626

Journal Information:: Journal of Chemical Theory and Computation, Vol. 17, Issue 8; ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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