QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned Interatomic Potentials. - Huajie Chen; Christoph Ortner; Yangshuai Wang (CoRR, 2021)

A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods. - Yangshuai Wang; Huajie Chen; Mingjie Liao; Christoph Ortner; Hao Wang 051; Lei Zhang 027 (SIAM J. Sci. Comput., 2021)

A framework for a generalisation analysis of machine-learned interatomic potentials. - Christoph Ortner; Yangshuai Wang (CoRR, 2022)

A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects. - Yangshuai Wang; James R. Kermode; Christoph Ortner; Lei Zhang 027 (CoRR, 2022)

Efficient a Posteriori Error Control of a Consistent Atomistic/Continuum Coupling Method for Two Dimensional Crystalline Defects. - Yangshuai Wang; Hao Wang (CoRR, 2022)

QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models. - Huajie Chen; Christoph Ortner; Yangshuai Wang (Multiscale Model. Simul., 2022)

Adaptive Multiscale Coupling Methods of Molecular Mechanics based on a Unified Framework of a Posteriori Error Estimates. - Hao Wang; Yangshuai Wang (CoRR, 2023)

A Theoretical Case Study of the Generalisation of Machine-learned Potentials. - Yangshuai Wang; Shashwat Patel; Christoph Ortner (CoRR, 2023)

Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics. - Kejie Fu; Mingjie Liao; Yangshuai Wang; Jianjun Chen 002; Lei Zhang 027 (J. Comput. Phys., 2023)

A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials. - Christoph Ortner; Yangshuai Wang (Multiscale Model. Simul., 2023)

Efficient a Posteriori Error Control of a Concurrent Multiscale Method with Sharp Interface for Crystalline Defects. - Yangshuai Wang; Hao Wang 051 (J. Sci. Comput., 2023)

Elastic Far-Field Decay from Dislocations in Multilattices. - Derek Olson; Christoph Ortner; Yangshuai Wang; Lei Zhang 027 (Multiscale Model. Simul., 2023)

Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation Simulations using Fourier Pseudospectral Method. - Xinyi Wei; Yangshuai Wang; Kai Jiang; Lei Zhang (CoRR, 2024)

MeshAC: A 3D mesh generation and adaptation package for multiscale coupling methods. - Kejie Fu; Mingjie Liao; Yangshuai Wang; Jianjun Chen 002; Lei Zhang 027 (Comput. Phys. Commun., 2025)

A posteriori analysis and adaptive algorithms for blended type atomistic-to-continuum coupling with higher-order finite elements. - Yangshuai Wang (Comput. Phys. Commun., 2025)

Surrogate Models for Vibrational Entropy Based on a Spatial Decomposition. - Tina Torabi; Christoph Ortner; Yangshuai Wang (Multiscale Model. Simul., 2025)

Higher-Order Far-Field Boundary Conditions for Crystalline Defects. - Julian Braun; Christoph Ortner; Yangshuai Wang; Lei Zhang 027 (SIAM J. Numer. Anal., 2025)

A General Framework of Linear Elasticity Enhanced Multiscale Coupling Methods for Crystalline Defects. - Yanbo Zhan; Yangshuai Wang; Hao Wang (CoRR, 2025)

Formulation and Analysis of Blended Atomistic to Higher-Order Continuum Coupling Methods for Crystalline Defects. - Junfeng Lu; Hao Wang; Yangshuai Wang (CoRR, 2025)