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 | 17 | 2023 |
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 | 15 | 2019 |
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 | 12 | 2021 |
A framework for a generalization analysis of machine-learned interatomic potentials C Ortner, Y Wang Multiscale Modeling & Simulation 21 (3), 1053-1080, 2023 | 8 | 2023 |
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 |
Elastic far-field decay from dislocations in multilattices D Olson, C Ortner, Y Wang, L Zhang Multiscale Modeling & Simulation 21 (4), 1379-1409, 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 | 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 | 3 | 2024 |
Higher order far-field boundary conditions for crystalline defects J Braun, C Ortner, Y Wang, L Zhang arXiv preprint arXiv:2210.05573, 2022 | 3 | 2022 |
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 | 1 | 2023 |
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 | 1 | 2023 |
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 | 1 | 2022 |
Adaptive multigrid strategy for large-scale molecular mechanics optimization M Liao, Y Wang, K Fu, J Chen, L Zhang arXiv preprint arXiv:2105.02672, 2021 | 1 | 2021 |
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 | 1 | 2021 |
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 |