The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives
出版年份 2014 全文链接
标题
The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives
作者
关键词
-
出版物
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 114, Issue 16, Pages 1036-1040
出版商
Wiley
发表日期
2014-02-05
DOI
10.1002/qua.24621
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Erratum: “Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory” [J. Chem. Phys. 139, 044120 (2013)]
- (2013) Motoyuki Shiga et al. JOURNAL OF CHEMICAL PHYSICS
- Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory
- (2013) Motoyuki Shiga et al. JOURNAL OF CHEMICAL PHYSICS
- Boundary based on exchange symmetry theory for multilevel simulations. II. Multiple time scale approach
- (2013) Motoyuki Shiga et al. JOURNAL OF CHEMICAL PHYSICS
- Shortcomings of the standard Lennard–Jones dispersion term in water models, studied with force matching
- (2013) Paolo Nicolini et al. JOURNAL OF CHEMICAL PHYSICS
- Fitting coarse-grained distribution functions through an iterative force-matching method
- (2013) Lanyuan Lu et al. JOURNAL OF CHEMICAL PHYSICS
- Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of Rhodopsin
- (2013) Manuel Doemer et al. Journal of Chemical Theory and Computation
- Liquid-liquid transition in supercooled water suggested by microsecond simulations
- (2013) Y. Li et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Ab initio parameterization of an all-atom polarizable and dissociable force field for water
- (2012) Carlos Pinilla et al. JOURNAL OF CHEMICAL PHYSICS
- Predicting the melting temperature of ice-Ih with only electronic structure information as input
- (2012) Eric R. Pinnick et al. JOURNAL OF CHEMICAL PHYSICS
- Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field
- (2012) Jonàs Sala et al. JOURNAL OF CHEMICAL PHYSICS
- Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data
- (2012) Lee-Ping Wang et al. Journal of Chemical Theory and Computation
- Including many-body effects in models for ionic liquids
- (2012) Mathieu Salanne et al. THEORETICAL CHEMISTRY ACCOUNTS
- Empirical valence bond models for reactive potential energy surfaces: A parallel multilevel genetic program approach
- (2011) Michael A. Bellucci et al. JOURNAL OF CHEMICAL PHYSICS
- Aqueous halide potentials from force matching of Car–Parrinello data
- (2011) Daniel Spångberg et al. Computational and Theoretical Chemistry
- Communication: Hybrid ensembles for improved force matching
- (2010) Lee-Ping Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
- (2009) A. Pukrittayakamee et al. JOURNAL OF CHEMICAL PHYSICS
- Improving the Point-Charge Description of Hydrogen Bonds by Adaptive Force Matching
- (2009) Omololu Akin-Ojo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method
- (2008) Omololu Akin-Ojo et al. JOURNAL OF CHEMICAL PHYSICS
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