A Δ-machine learning approach for force fields, illustrated by a CCSD(T) 4-body correction to the MB-pol water potential
Abstract
In this paper we proposed a Δ-machine learning approach to correct general many-body force fields. We illustrate this approach by adding a 4-body correction to the MB-pol water potential to bring it to a higher level of accuracy.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d2dd00057a
Entities
People
- Apurba Nandi
- Chen Qu
- Joel Bowman
- Paul Houston
- Qi Yu
- Riccardo Conte
Organizations
- Army Research Office
- Cornell University
- Emory University
- Georgia Tech
- National Aeronautics and Space Administration
- National Science Foundation
- University of Milan
- Yale University