Genetic optimization of training sets for improved machine learning models of molecular properties NJ Browning, R Ramakrishnan, OA Von Lilienfeld, U Roethlisberger The journal of physical chemistry letters 8 (7), 1351-1359, 2017 | 77 | 2017 |
Nonadiabatic effects in electronic and nuclear dynamics MP Bircher, E Liberatore, NJ Browning, S Brickel, C Hofmann, A Patoz, ... Structural Dynamics 4 (6), 2017 | 47 | 2017 |
Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation J Weinreich, NJ Browning, OA von Lilienfeld The Journal of Chemical Physics 154 (13), 2021 | 46 | 2021 |
Genetic algorithm based design and experimental characterization of a highly thermostable metalloprotein E Bozkurt, MAS Perez, R Hovius, NJ Browning, U Rothlisberger Journal of the American Chemical Society 140 (13), 4517-4521, 2018 | 23 | 2018 |
GPU-accelerated approximate kernel method for quantum machine learning NJ Browning, FA Faber, O Anatole von Lilienfeld The Journal of Chemical Physics 157 (21), 2022 | 10 | 2022 |
Mace-off23: Transferable machine learning force fields for organic molecules DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, ... arXiv preprint arXiv:2312.15211, 2023 | 6 | 2023 |
Lessons from nature: computational design of biomimetic compounds and processes E Bozkurt, N Ashari, N Browning, E Brunk, P Campomanesa, MAS Perez, ... Chimia 68 (9), 642-642, 2014 | 4 | 2014 |
Applications of Artificial Intelligence to Computational Chemistry NJ Browning EPFL, 2019 | 3 | 2019 |
MACE-OFF23: Transferable Machine Learning Force Fields for Organic Molecules D Péter Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, ... arXiv e-prints, arXiv: 2312.15211, 2023 | | 2023 |
Fast evaluation of spherical harmonics with sphericart F Bigi, G Fraux, NJ Browning, M Ceriotti The Journal of Chemical Physics 159 (6), 2023 | | 2023 |
EVOLVE: An Evolutionary Toolbox for the Design of Peptides and Proteins NJ Browning, MAS Perez, E Brunk, U Rothlisberger | | 2023 |
LCBC A Antalik, B Araujo Cautiero Horta, JS Arey, N Ashari Astani, PJ Baudin, ... | | |
Sciper ID 240680 Affiliated labs LCBC NJ Browning | | |
Molecular Dynamics and Monte Carlo Simulations Exercises A Boziki, N Browning, T von Erlach | | |