Követés
Yangshuai Wang
Cím
Hivatkozott rá
Hivatkozott rá
Év
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
142019
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
122021
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
8*2022
A framework for a generalization analysis of machine-learned interatomic potentials
C Ortner, Y Wang
Multiscale Modeling & Simulation 21 (3), 1053-1080, 2023
62023
Elastic Far-Field Decay from Dislocations in Multilattices
D Olson, C Ortner, Y Wang, L Zhang
Multiscale Modeling & Simulation 21 (4), 1379-1409, 2023
5*2023
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
52023
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
4*2023
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
22024
Higher Order Far-Field Boundary Conditions for Crystalline Defects
J Braun, C Ortner, Y Wang, L Zhang
arXiv preprint arXiv:2210.05573, 2022
22022
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
12023
A Posteriori Analysis and Adaptive Algorithms for Blended Type Atomistic-to-Continuum Coupling with Higher-Order Finite Elements
Y Wang
arXiv preprint arXiv:2308.16467, 2023
12023
A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects
Y Wang, JR Kermode, C Ortner, L Zhang
arXiv preprint arXiv:2210.04856, 2022
12022
Adaptive Multigrid Strategy for Large-scale Molecular Mechanics Optimization
M Liao, Y Wang, K Fu, J Chen, L Zhang
arXiv e-prints, arXiv: 2105.02672, 2021
12021
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
12021
Surrogate Models for Vibrational Entropy Based on a Spatial Decomposition
T Torabi, Y Wang, C Ortner
arXiv preprint arXiv:2402.12744, 2024
2024
MeshAC: A 3D Mesh Generation and Adaptation Package for Multiscale Coupling Methods
K Fu, M Liao, Y Wang, J Chen, L Zhang
arXiv preprint arXiv:2402.09446, 2024
2024
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Cikkek 1–16