Using Gradients in Permutationally Invariant Polynomial...

  • Main
  • 2019 / 03
  • Using Gradients in Permutationally Invariant Polynomial...

Using Gradients in Permutationally Invariant Polynomial Potential fitting: A Demonstration for CH4 Using as Few as 100 Configurations.

Nandi, Apurba, Qu, Chen, Bowman, Joel M
How much do you like this book?
What’s the quality of the file?
Download the book for quality assessment
What’s the quality of the downloaded files?
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00043
Date:
March, 2019
File:
PDF, 1.71 MB
english, 2019
Conversion to is in progress
Conversion to is failed