Molecular dynamics-smoothed molecular dynamics (MD-SMD) adaptive coupling method with seamless transition

DOI10.1002/nme.5224zbMath1548.74977MaRDI QIDQ6560681

Xiong Zhang, Nianfeng He, Yan Liu

Publication date: 23 June 2024

Published in: International Journal for Numerical Methods in Engineering (Search for Journal in Brave)

zbMATH Keywords

molecular dynamicsadaptive couplingmultiple time stepsmoothed molecular dynamicsseamless transition

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05) Numerical and other methods in solid mechanics (74S99)

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