![](/img/cover-not-exists.png)
Using Gradients in Permutationally Invariant Polynomial Potential fitting: A Demonstration for CH4 Using as Few as 100 Configurations.
Nandi, Apurba, Qu, Chen, Bowman, Joel MLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00043
Date:
March, 2019
File:
PDF, 1.71 MB
english, 2019