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20172024
most citedAdaptive QM/MM Coupling for Crystalline Defects

17 citations · 24 across the 8 of their papers we have counts for

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6 papers · 1 filter

math.NA2023

Error analysis of an effective numerical scheme for a temporal multiscale plaque growth problem

Zhaoyang Wang, Ping Lin

In this work, we propose a simple numerical scheme based on a fast front-tracking approach for solving a fluid-structure interaction (FSI) problem of plaque growth in blood vessels…

math.NA2020★ 3 cited

A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods

Yangshuai Wang, Huajie Chen, Mingjie Liao +3

Hybrid quantum/molecular mechanics models (QM/MM methods) are widely used in material and molecular simulations when MM models do not provide sufficient accuracy but pure QM models…

math.NA2018★ 17 cited

Adaptive QM/MM Coupling for Crystalline Defects

Huajie Chen, Mingjie Liao, Hao Wang +2

QM (quantum mechenics) and MM (molecular mechenics) coupling methods are widely used in simulations of crystalline defects. In this paper, we construct a residual based a posterior…

math.NA2018

A Posteriori Error Estimate and Adaptive Mesh Refinement Algorithm for Atomistic/Continuum Coupling with Finite Range Interactions in Two Dimensions

Mingjie Liao, Ping Lin, Lei Zhang

In this paper, we develop the residual based a posteriori error estimates and the corresponding adaptive mesh refinement algorithm for atomistic/continuum (a/c) coupling with finit…

math.NA2018

A consistency study of coarse-grained dynamical chains through a nonlinear wave equation of mixed type

Mingjie Liao, Ping Lin

A dynamical atomistic chain to simulate mechanical properties of a one-dimensional material with zero temperature may be modelled by the molecular dynamics (MD) model. Because the…

math.NA2017★ 4 cited

A Posteriori Error Estimation and Adaptive Algorithm for the Atomistic/Continuum Coupling in 2D

Hao Wang, Mingjie Liao, Ping Lin +1

Atomistic/continuum coupling methods aim to achieve optimal balance between accuracy and efficiency. Adaptivity is the key for the efficient implementation of such methods. In this…