Toward sustainable ultrawide bandgap van der Waals materials: An ab initio screening effort CW Tan, L Xu, CC Er, SP Chai, B Kozinsky, HY Yang, SA Yang, J Lu, ... Advanced Functional Materials 34 (11), 2308679, 2024 | 12 | 2024 |
Random structure searching with orbital-free density functional theory WC Witt, BWB Shires, CW Tan, WJ Jankowski, CJ Pickard The Journal of Physical Chemistry A 125 (7), 1650-1660, 2021 | 10 | 2021 |
Automatic differentiation for orbital-free density functional theory CW Tan, CJ Pickard, WC Witt The Journal of Chemical Physics 158 (12), 2023 | 9 | 2023 |
Unified Differentiable Learning of the Electric Enthalpy and Dielectric Properties with Exact Physical Constraints S Falletta, A Cepellotti, CW Tan, A Johansson, A Musaelian, CJ Owen, ... arXiv preprint arXiv:2403.17207, 2024 | 2 | 2024 |
Learning polarization using equivariant neural networks S Falletta, A Cepellotti, A Musaelian, A Johansson, CW Tan, B Kozinsky Bulletin of the American Physical Society, 2024 | | 2024 |
Toward Sustainable Ultrawide Bandgap van der Waals Materials: An ab initio Screening Effort (Adv. Funct. Mater. 11/2024) CW Tan, L Xu, CC Er, SP Chai, B Kozinsky, HY Yang, SA Yang, J Lu, ... Advanced Functional Materials 34 (11), 2470063, 2024 | | 2024 |