Results 231 to 240 of about 83,346 (245)

Langevin Molecular Dynamics

2017
openaire   +1 more source

The derivation and approximation of coarse-grained dynamics from Langevin dynamics

Journal of Chemical Physics, 2016
Xiantao Li, Chun Liu
exaly  

Langevin stabilization of molecular-dynamics simulations of polymers by means of quasisymplectic algorithms

Journal of Chemical Physics, 2007
Riccardo Mannella
exaly  

Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Progress in Surface Science, 2019
Jing-Tao Lu, Per Hedegård, Mads Brandbyge   +2 more
exaly  

An analysis of the accuracy of Langevin and molecular dynamics algorithms

Molecular Physics, 1988
Richard W Pastor
exaly  

Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation

Journal of Chemical Physics, 2018
Mariana Rossi, Venkat Kapil, Michele Ceriotti   +2 more
exaly  

Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics

Journal of Chemical Physics, 2017
Dezhang Li, Xu Han, Yichen Chai
exaly  

Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations

Journal of Chemical Physics, 2008
Cristian Micheletti, Giovanni Bussi, Alessandro Laio   +2 more
exaly  

Langevin dynamics simulation of crystallization of ring polymers

Journal of Chemical Physics, 2018
Kiran Iyer, Murugappan Muthukumar
exaly  

Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

Journal of Chemical Physics, 2011
Xiongwu Wu, Bernard R Brooks
exaly