Towards sharp error analysis of extended Lagrangian molecular dynamics-Reference-Cited by-同舟云学术

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Towards sharp error analysis of extended Lagrangian molecular dynamics

Published:2022-10 Issue: Volume:466 Page:111403
ISSN:0021-9991
Container-title:Journal of Computational Physics
language:en
Short-container-title:Journal of Computational Physics

Author:

An Dong,Lin Lin^ORCID,Lindsey Michael^ORCID

Funder

National Science Foundation

U.S. Department of Energy

Office of Science

Basic Energy Sciences

Advanced Scientific Computing Research

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modeling and Simulation,Numerical Analysis

Reference31 articles.

1. An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction;Albaugh;J. Chem. Phys.,2015

2. A new method for treating Drude polarization in classical molecular simulation;Albaugh;J. Chem. Theory Comput.,2017

3. Accurate classical polarization solution with no self-consistent field iterations;Albaugh;J. Phys. Chem. Lett.,2017

4. Homogenization of Hamiltonian systems with a strong constraining potential;Bornemann;Physica D,1997

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