Yangshuai Wang

CoRR, February, 2025

A General Framework of Linear Elasticity Enhanced Multiscale Coupling Methods for Crystalline Defects.

[BibT_eX]

[DOI]

Yanbo Zhan

CoRR, February, 2025

Higher-Order Far-Field Boundary Conditions for Crystalline Defects.

[BibT_eX]

[DOI]

SIAM J. Numer. Anal., 2025

Surrogate Models for Vibrational Entropy Based on a Spatial Decomposition.

[BibT_eX]

[DOI]

Tina Torabi

Multiscale Model. Simul., 2025

A posteriori analysis and adaptive algorithms for blended type atomistic-to-continuum coupling with higher-order finite elements.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2025

MeshAC: A 3D mesh generation and adaptation package for multiscale coupling methods.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2025

2024

Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation Simulations using Fourier Pseudospectral Method.

[BibT_eX]

[DOI]

CoRR, 2024

2023

Elastic Far-Field Decay from Dislocations in Multilattices.

[BibT_eX]

[DOI]

Multiscale Model. Simul., December, 2023

Efficient a Posteriori Error Control of a Concurrent Multiscale Method with Sharp Interface for Crystalline Defects.

[BibT_eX]

[DOI]

J. Sci. Comput., November, 2023

A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials.

[BibT_eX]

[DOI]

Multiscale Model. Simul., September, 2023

Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics.

[BibT_eX]

[DOI]

J. Comput. Phys., 2023

A Theoretical Case Study of the Generalisation of Machine-learned Potentials.

[BibT_eX]

[DOI]

Shashwat Patel

CoRR, 2023

Adaptive Multiscale Coupling Methods of Molecular Mechanics based on a Unified Framework of a Posteriori Error Estimates.

[BibT_eX]

[DOI]

CoRR, 2023

2022

QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models.

[BibT_eX]

[DOI]

Huajie Chen

Multiscale Model. Simul., December, 2022

Efficient a Posteriori Error Control of a Consistent Atomistic/Continuum Coupling Method for Two Dimensional Crystalline Defects.

[BibT_eX]

[DOI]

CoRR, 2022

A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects.

[BibT_eX]

[DOI]

CoRR, 2022

A framework for a generalisation analysis of machine-learned interatomic potentials.

[BibT_eX]

[DOI]

CoRR, 2022

2021

A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods.

[BibT_eX]

[DOI]

SIAM J. Sci. Comput., 2021

QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned Interatomic Potentials.

[BibT_eX]

[DOI]

Huajie Chen