Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

Authors: 
Takefumi Yamashita, Yuxing Peng, Chris Knight, Gregory A. Voth
Publication Date: 
December, 2012
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