| Curvature constrained splines for DFTB repulsive potential parametrization AK Ammothum Kandy, E Wadbro, B Aradi, P Broqvist, J Kullgren Journal of Chemical Theory and Computation 17 (3), 1771-1781, 2021 | 16 | 2021 |
| CCS: A software framework to generate two-body potentials using Curvature Constrained Splines AK AK, E Wadbro, C Köhler, P Mitev, P Broqvist, J Kullgren Computer Physics Communications 258, 107602, 2021 | 7 | 2021 |
| Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials AKA Kandy, K Rossi, A Raulin-Foissac, G Laurens, J Lam Physical Review B 107 (17), 174106, 2023 | 4 | 2023 |
| Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria B Kocmaruk, AK Ammothum Kandy, K Hermansson, J Kullgren, P Broqvist The Journal of Chemical Physics 158 (5), 2023 | 1 | 2023 |
| Elaboration of a neural-network interatomic potential for silica glass and melt S Trillot, J Lam, S Ispas, AKA Kandy, ME Tuckerman, N Tarrat, M Benoit Computational Materials Science 236, 112848, 2024 | | 2024 |
| Linear models for multiscale materials simulations: Towards a seamless linking of electronic and atomistic models for complex metal oxides A Kandy, A Krishna Acta Universitatis Upsaliensis, 2021 | | 2021 |
| Can water affect the shape of CeO2 nanopartiles? A Krishna Ammothum Kandy, J Kullgren, K Hermansson, P Broqvist Swedish e-Science Academy 2017, 2017 | | 2017 |
