Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

Published
Publication JCTC- Journal of Chemical Theory and Computation
Authors
Takefumi Yamashita, Yuxing Peng, Chris Knight, Gregory A. Voth
Publication Date
Name of Publication Source
JCTC- Journal of Chemical Theory and Computation
Publisher
American Chemical Society
Volume
8
Issue
12
Page Numbers
4863-4875
DOI
10.1021/ct3006437
Source Link
http://dx.doi.org/10.1021/ct3006437