Simulation of Liquid Water Using Semiempirical Hamiltonians and the Divide and Conquer Approach-Reference-Cited by-同舟云学术

Simulation of Liquid Water Using Semiempirical Hamiltonians and the Divide and Conquer Approach

Published:2005-03-23 Issue:15 Volume:109 Page:3425-3432
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Monard G.¹,Bernal-Uruchurtu M. I.¹,van der Vaart A.¹,Merz K. M.¹,Ruiz-López M. F.¹

Affiliation:

1. Equipe de Chimie et Biochimie Théoriques, UMR CNRS-UHP No. 7565, Université Henri Poincaré-Nancy I, BP 239, 54506 Vandoeuvre-lès-Nancy, France, Centro de Investigaciones Químicas, Universidad Autónoma del Estado de Morelos, 62210 Cuernavaca, México, Department of Chemistry, 152 Davey Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802, and Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0459099

Reference60 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

2. The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations

3. Linear scaling electronic structure methods in chemistry and physics

4. Linear scaling electronic structure methods

Cited by 58 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. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations;The Journal of Physical Chemistry A;2023-01-11

2. Doubly Polarized QM/MM with Machine Learning Chaperone Polarizability;Journal of Chemical Theory and Computation;2021-11-01

3. D cdftbmd : Divide‐and‐Conquer Density Functional Tight‐Binding Program for Huge‐System Quantum Mechanical Molecular Dynamics Simulations;Journal of Computational Chemistry;2019-03-03

4. Semi-Empirical Born–Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package;Journal of Chemical Information and Modeling;2018-11-15

5. Amber-Compatible Parametrization Procedure for Peptide-like Compounds: Application to 1,4- and 1,5-Substituted Triazole-Based Peptidomimetics;Journal of Chemical Information and Modeling;2017-12-21