Yangshuai Wang

CoRR, May, 2026

Unlocking Biological Workflows for Robust Protein-Text Question Answering: A Dual-Dimensional RAG Framework.

[BibT_eX]

[DOI]

CoRR, May, 2026

A Discrete-Time Random Feature Method for Nonlinear Evolution Equations with Implicit-Explicit Runge-Kutta Time Stepping.

[BibT_eX]

[DOI]

CoRR, April, 2026

Analysis of Hessian Scaling for Local and Global Costs in Variational Quantum Algorithm.

[BibT_eX]

[DOI]

Yihan Huang

CoRR, February, 2026

Trainability-Oriented Hybrid Quantum Regression via Geometric Preconditioning and Curriculum Optimization.

[BibT_eX]

[DOI]

Qingyu Meng

CoRR, January, 2026

A conformal prediction framework for uncertainty quantification in physics-informed neural networks.

[BibT_eX]

[DOI]

Yifan Yu

Cheuk Hin Ho

J. Comput. Phys., 2026

Adaptive quasicontinuum methods and simulations for crystal defects with a theory based unified a posteriori error estimate.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2026

MicroEvoEval: A Systematic Evaluation Framework for Image-Based Microstructure Evolution Prediction.

[BibT_eX]

[DOI]

Proceedings of the Fortieth AAAI Conference on Artificial Intelligence, 2026

2025

Higher-Order Boundary Conditions for Atomistic Dislocation Simulations.

[BibT_eX]

[DOI]

CoRR, October, 2025

Formulation and Analysis of Blended Atomistic to Higher-Order Continuum Coupling Methods for Crystalline Defects.

[BibT_eX]

[DOI]

Junfeng Lu

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

An atomic cluster expansion potential for twisted multilayer graphene.

[BibT_eX]

[DOI]

Mach. Learn. Sci. Technol., 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