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