152 citations · 506 across the 51 of their papers we have counts for
Showing 2014Show all
3 papers · 1 filter
math.NA2014
An atomistic/continuum coupling method using enriched bases
Jingrun Chen, Carlos J. García-Cervera, Xiantao Li
A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In…
cond-mat.mtrl-sci2014★ 7 cited
On Consistent Definitions of Momentum and Energy Fluxes for Molecular Dynamics Models with Multi-body Interatomic Potentials
Xiaojie Wu, Xiantao Li
In this paper, we propose a two-level criteria to check the consistency of the definitions of continuum quantities in Molecular Dynamics. As examples, we follow the control- volume…
math.NA2014★ 39 cited
Computation of the Memory Functions in the Generalized Langevin Models for Collective Dynamics of Macromolecules
Minxin Chen, Xiantao Li, Chun Liu
We present a numerical method to compute the approximation of the memory functions in the generalized Langevin models for collective dynamics of macromolecules. We first derive the…