Formalizing atom-typing and the dissemination of force fields with foyer
Published in COMPUTATIONAL MATERIALS SCIENCE, 2019
Recommended citation: Klein, Christoph Summers, Andrew Z. Thompson, Matthew W. Gilmer, Justin B. McCabe, Clare Cummings, Peter T. Sallai, Janos Iacovella, Christopher R. (2019). "Formalizing atom-typing and the dissemination of force fields with foyer ." COMPUTATIONAL MATERIALS SCIENCE. 167 ().
Klein, Christoph Summers, Andrew Z. Thompson, Matthew W. Gilmer, Justin B. McCabe, Clare Cummings, Peter T. Sallai, Janos Iacovella, Christopher R. (2019). “Formalizing atom-typing and the dissemination of force fields with foyer .” COMPUTATIONAL MATERIALS SCIENCE. 167 (), pp 215-227 .
DOI: 10.1016/j.commatsci.2019.05.026
Funding source: National Science Foundation [535150, 1835874]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]