249 citations · 279 across the 40 of their papers we have counts for
Showing 2023Show all
3 papers · 1 filter
physics.comp-ph2023★ 2 cited
A Theoretical Case Study of the Generalisation of Machine-learned Potentials
Yangshuai Wang, Shashwat Patel, Christoph Ortner
Machine-learned interatomic potentials (MLIPs) are typically trained on datasets that encompass a restricted subset of possible input structures, which presents a potential challen…
math.NA2023
Adaptive Quasicontinuum Methods and Simulations for Crystal Defects with a Theory based Unified a Posteriori Error Estimate
Hao Wang, Yangshuai Wang
Adaptive quasicontinuum (QC) methods are important methodologies in molecular mechanics for the simulations of materials with defects, intending to achieve the optimal balance of a…
math.NA2023
A Posteriori Analysis and Adaptive Algorithms for Blended Type Atomistic-to-Continuum Coupling with Higher-Order Finite Elements
Yangshuai Wang
The efficient and accurate simulation of material systems with defects using atomistic- to-continuum (a/c) coupling methods is a topic of considerable interest in the field of comp…