| Mapping materials and molecules B Cheng, RR Griffiths, S Wengert, C Kunkel, T Stenczel, B Zhu, ... Accounts of Chemical Research 53 (9), 1981-1991, 2020 | 99 | 2020 |
| 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 |
| Machine-learned acceleration for molecular dynamics in CASTEP TK Stenczel, Z El-Machachi, G Liepuoniute, JD Morrow, AP Bartók, ... The Journal of Chemical Physics 159 (4), 2023 | 9 | 2023 |
| DFT calculations on the mechanism of copper-catalysed tandem arylation–cyclisation reactions of alkynes and diaryliodonium salts TK Stenczel, Á Sinai, Z Novák, A Stirling Beilstein Journal of Organic Chemistry 14 (1), 1743-1749, 2018 | 5 | 2018 |
| wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, ... The Journal of Chemical Physics 159 (12), 2023 | 4 | 2023 |
| Exploring, fitting, and characterizing the configuration space of materials with multiscale universal descriptors* GC N Bernstein, T Stenczel American Physical Society, 2021 | | 2021 |
