Követés
Yangshuai Wang
Cím
Hivatkozott rá
Hivatkozott rá
Év
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
2422023
Adaptive QM/MM coupling for crystalline defects
H Chen, M Liao, H Wang, Y Wang, L Zhang
Computer Methods in Applied Mechanics and Engineering 354, 351-368, 2019
192019
A posteriori error estimates for adaptive qm/mm coupling methods
Y Wang, H Chen, M Liao, C Ortner, H Wang, L Zhang
SIAM Journal on Scientific Computing 43 (4), A2785-A2808, 2021
172021
QM/MM methods for crystalline defects. Part 3: Machine-learned MM models
H Chen, C Ortner, Y Wang
Multiscale Modeling & Simulation 20 (4), 1490-1518, 2022
15*2022
A framework for a generalization analysis of machine-learned interatomic potentials
C Ortner, Y Wang
Multiscale Modeling & Simulation 21 (3), 1053-1080, 2023
142023
A theoretical case study of the generalization of machine-learned potentials
Y Wang, S Patel, C Ortner
Computer Methods in Applied Mechanics and Engineering 422, 116831, 2024
112024
Elastic far-field decay from dislocations in multilattices
D Olson, C Ortner, Y Wang, L Zhang
Multiscale Modeling & Simulation 21 (4), 1379-1409, 2023
11*2023
Higher-order far-field boundary conditions for crystalline defects
J Braun, C Ortner, Y Wang, L Zhang
SIAM Journal on Numerical Analysis 63 (2), 520-541, 2025
72025
Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics
K Fu, M Liao, Y Wang, J Chen, L Zhang
Journal of Computational Physics 485, 112113, 2023
7*2023
Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects
Y Wang, H Wang
Journal of Scientific Computing 97 (2), 51, 2023
5*2023
Surrogate models for vibrational entropy based on a spatial decomposition
T Torabi, C Ortner, Y Wang
Multiscale Modeling & Simulation 23 (1), 514-544, 2025
32025
A Posteriori Analysis and Adaptive Algorithms for Blended Type Atomistic-to-Continuum Coupling with Higher-Order Finite Elements
Y Wang
Computer Physics Communications, 109533, 2025
32025
Adaptive multiscale coupling methods of molecular mechanics based on a unified framework of a posteriori error estimates
H Wang, Y Wang
arXiv preprint arXiv:2309.13255, 2023
32023
A priori analysis of a higher-order nonlinear elasticity model for an atomistic chain with periodic boundary condition
Y Wang, L Zhang, H Wang
IMA Journal of Numerical Analysis 41 (2), 1465-1495, 2021
32021
MeshAC: A 3D Mesh Generation and Adaptation Package for Multiscale Coupling Methods
K Fu, M Liao, Y Wang, J Chen, L Zhang
Computer Physics Communications, 109523, 2025
22025
A posteriori error estimate and adaptivity for QM/MM models of crystalline defects
Y Wang, JR Kermode, C Ortner, L Zhang
Computer Methods in Applied Mechanics and Engineering 428, 117097, 2024
12024
Formulation and Analysis of Blended Atomistic to Higher-Order Continuum Coupling Methods for Crystalline Defects
J Lu, H Wang, Y Wang
arXiv preprint arXiv:2502.18854, 2025
2025
A General Framework of Linear Elasticity Enhanced Multiscale Coupling Methods for Crystalline Defects
Y Zhan, Y Wang, H Wang
arXiv preprint arXiv:2502.17164, 2025
2025
Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster Expansion
Y Wang, G Csanyi, C Ortner
arXiv preprint arXiv:2502.04661, 2025
2025
Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation Simulations using Fourier Pseudospectral Method
X Wei, Y Wang, K Jiang, L Zhang
arXiv preprint arXiv:2410.22720, 2024
2024
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