How to validate machine-learned interatomic potentials JD Morrow, JLA Gardner, VL Deringer The Journal of chemical physics 158 (12), 2023 | 82 | 2023 |
Synthetic pre-training for neural-network interatomic potentials JLA Gardner, KT Baker, VL Deringer Machine Learning: Science and Technology 5 (1), 015003, 2024 | 14 | 2024 |
Synthetic data enable experiments in atomistic machine learning JLA Gardner, ZF Beaulieu, VL Deringer Digital Discovery 2 (3), 651-662, 2023 | 13 | 2023 |
Data as the next challenge in atomistic machine learning C Ben Mahmoud, JLA Gardner, VL Deringer Nature Computational Science, 1-4, 2024 | 8 | 2024 |
Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks ZF Beaulieu, TC Nicholas, JLA Gardner, AL Goodwin, VL Deringer Chemical Communications 59 (76), 11405-11408, 2023 | 4 | 2023 |
Using spectroscopy to probe relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers W Barford, JLA Gardner, JR Mannouch Faraday Discussions 221, 281-298, 2020 | 2 | 2020 |
An automated framework for exploring and learning potential-energy surfaces Y Liu, JD Morrow, C Ertural, NL Fragapane, JLA Gardner, AA Naik, ... arXiv preprint arXiv:2412.16736, 2024 | 1 | 2024 |