Article-Journal

Flexible Uncertainty Calibration for Machine-Learned Interatomic Potentials

Flexible Uncertainty Calibration for Machine-Learned Interatomic Potentials. npj Comput. Mater., 2026.

cheuk-hin-ho
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Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial on Methods and Applications

Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial on Methods and Applications. J. Appl. Phys., 139:041101, 2026.

xiaoqing-liu
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Elastic Far-field Decay from Dislocations in Multilattices

Elastic Far-field Decay from Dislocations in Multilattices. Multiscale Model. Simul., 21(4), 2023.

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

Efficient a Posteriori Error Control of a Consistent Atomistic/Continuum Coupling Method for Two Dimensional Crystalline Defects. J. Sci. Comput., 97:51, 2023.

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Yangshuai Wang
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An Atomic Cluster Expansion Potential for Twisted Multilayer Graphene

An Atomic Cluster Expansion Potential for Twisted Multilayer Graphene. Mach. Learn.: Sci. Technol., 6:045040, 2025.

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

Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation Simulations using Fourier Pseudospectral Method. J. Sci. Comput., 108:57, 2026.

xinyi-wei
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Adaptive QM/MM Coupling for Crystalline Defects

Adaptive QM/MM Coupling for Crystalline Defects. Comput. Methods Appl. Mech. Engrg., 354:351–368, 2019.

huajie-chen
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A Theoretical Case Study of the Generalisation of Machine-learned Potentials

A Theoretical Case Study of the Generalisation of Machine-learned Potentials. Comput. Methods Appl. Mech. Engrg., 422:116831, 2024.

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Yangshuai Wang
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A Priori Analysis of a Higher Order Nonlinear Elasticity Model for an Atomistic Chain with Periodic Boundary Condition

A Priori Analysis of a Higher Order Nonlinear Elasticity Model for an Atomistic Chain with Periodic Boundary Condition. IMA J. Numer. Anal., 41(2):1465–1495, 2021.

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Yangshuai Wang
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A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods

A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods. SIAM J. Sci. Comput., 43:A2785–A2808, 2021.

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Yangshuai Wang
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