Semi-Implicit Time Integration with Hessian Eigenvalue Corrections for a Larger Time Step in Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Semi-Implicit Time Integration with Hessian Eigenvalue Corrections for a Larger Time Step in Molecular Dynamics Simulations

Published:2021-08-05 Issue:9 Volume:17 Page:5792-5804
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Washio Takumi¹²^ORCID,Kanada Ryo³^ORCID,Cui Xiaoke¹,Okada Jun-ichi¹²,Sugiura Seiryo¹,Takada Shoji⁴^ORCID,Hisada Toshiaki¹

Affiliation:

1. UT-Heart Inc., 178-4-4 Wakashiba, Kashiwa 277-0871, Japan

2. Future Center Initiative, The University of Tokyo, 178-4-4 Wakashiba, Kashiwa 277-0871, Japan

3. Predictive Health Team, Integrated Research Group, Compass to Healthy Life Research Complex Program, RIKEN, Kobe 654-0047, Japan

4. Department of Biophysics, Graduate School of Science, Kyoto University, Sakyo, Kyoto 606-8502, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00398

Reference15 articles.

1. A Quantitative Assessment of the Potential of Implicit Integration Methods for Molecular Dynamics Simulation

2. LIN: A new algorithm to simulate the dynamics of biomolecules by combining implicit-integration and normal mode techniques

3. The Langevin/implicit‐Euler/normal‐mode scheme for molecular dynamics at large time steps

4. Some practical procedures for the solution of nonlinear finite element equations

5. Krylov subspace methods for structural finite element analysis

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. On random force correction for large time steps in semi-implicitly discretized overdamped Langevin equations;AIMS Mathematics;2024

2. Using incomplete Cholesky factorization to increase the time step in molecular dynamics simulations;Journal of Computational and Applied Mathematics;2022-12

3. A thermodynamically consistent monte carlo cross-bridge model with a trapping mechanism reveals the role of stretch activation in heart pumping;Frontiers in Physiology;2022-09-08

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