| Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR DJ Kubicki, D Prochowicz, A Hofstetter, SM Zakeeruddin, M Grätzel, ... Journal of the American Chemical Society 139 (40), 14173-14180, 2017 | 368 | 2017 |
| Formation of stable mixed guanidinium–methylammonium phases with exceptionally long carrier lifetimes for high-efficiency lead iodide-based perovskite photovoltaics DJ Kubicki, D Prochowicz, A Hofstetter, M Saski, P Yadav, D Bi, N Pellet, ... Journal of the American Chemical Society 140 (9), 3345-3351, 2018 | 253 | 2018 |
| Cation Dynamics in Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR DJ Kubicki, D Prochowicz, A Hofstetter, P Pechy, SM Zakeeruddin, ... Journal of the American Chemical Society 139 (29), 10055-10061, 2017 | 235 | 2017 |
| Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network SA Ghasemi, A Hofstetter, S Saha, S Goedecker Physical review B 92 (4), 045131, 2015 | 233 | 2015 |
| Chemical shifts in molecular solids by machine learning FM Paruzzo, A Hofstetter, F Musil, S De, M Ceriotti, L Emsley Nature communications 9 (1), 4501, 2018 | 214 | 2018 |
| The atomic-level structure of cementitious calcium silicate hydrate A Kumar, BJ Walder, A Kunhi Mohamed, A Hofstetter, B Srinivasan, ... The Journal of Physical Chemistry C 121 (32), 17188-17196, 2017 | 214 | 2017 |
| Phase Segregation in Potassium-Doped Lead Halide Perovskites from 39K Solid-State NMR at 21.1 T DJ Kubicki, D Prochowicz, A Hofstetter, SM Zakeeruddin, M Grätzel, ... Journal of the American Chemical Society 140 (23), 7232-7238, 2018 | 144 | 2018 |
| Ba-induced phase segregation and band gap reduction in mixed-halide inorganic perovskite solar cells W Xiang, Z Wang, DJ Kubicki, X Wang, W Tress, J Luo, J Zhang, ... Nature communications 10 (1), 4686, 2019 | 116 | 2019 |
| Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy MA Ruiz-Preciado, DJ Kubicki, A Hofstetter, L McGovern, MH Futscher, ... Journal of the American Chemical Society 142 (3), 1645-1654, 2020 | 75 | 2020 |
| Doping and phase segregation in Mn 2+-and Co 2+-doped lead halide perovskites from 133 Cs and 1 H NMR relaxation enhancement DJ Kubicki, D Prochowicz, A Pinon, G Stevanato, A Hofstetter, ... Journal of Materials Chemistry A 7 (5), 2326-2333, 2019 | 70 | 2019 |
| Positional variance in NMR crystallography A Hofstetter, L Emsley Journal of the American Chemical Society 139 (7), 2573-2576, 2017 | 54 | 2017 |
| A Bayesian approach to NMR crystal structure determination EA Engel, A Anelli, A Hofstetter, F Paruzzo, L Emsley, M Ceriotti Physical Chemistry Chemical Physics 21 (42), 23385-23400, 2019 | 49 | 2019 |
| Structure determination of an amorphous drug through large-scale NMR predictions M Cordova, M Balodis, A Hofstetter, F Paruzzo, SO Nilsson Lill, ... Nature Communications 12 (1), 2964, 2021 | 45 | 2021 |
| Rapid structure determination of molecular solids using chemical shifts directed by unambiguous prior constraints A Hofstetter, M Balodis, FM Paruzzo, CM Widdifield, G Stevanato, ... Journal of the American Chemical Society 141 (42), 16624-16634, 2019 | 44 | 2019 |
| Artificial intelligence for natural product drug discovery MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ... Nature Reviews Drug Discovery 22 (11), 895-916, 2023 | 36 | 2023 |
| 113Cd Solid-State NMR at 21.1 T Reveals the Local Structure and Passivation Mechanism of Cadmium in Hybrid and All-Inorganic Halide Perovskites DJ Kubicki, D Prochowicz, A Hofstetter, BJ Walder, L Emsley ACS Energy Letters 5 (9), 2964-2971, 2020 | 21 | 2020 |
| Probing protein dynamics using multifield variable temperature NMR relaxation and molecular dynamics simulation B Busi, JR Yarava, A Hofstetter, N Salvi, D Cala-De Paepe, ... The Journal of Physical Chemistry B 122 (42), 9697-9702, 2018 | 19 | 2018 |
| A machine learning model of chemical shifts for chemically and structurally diverse molecular solids M Cordova, EA Engel, A Stefaniuk, F Paruzzo, A Hofstetter, M Ceriotti, ... The Journal of Physical Chemistry C 126 (39), 16710-16720, 2022 | 17 | 2022 |
| De Novo Crystal Structure Determination from Machine Learned Chemical Shifts M Balodis, M Cordova, A Hofstetter, GM Day, L Emsley Journal of the American Chemical Society 144 (16), 7215-7223, 2022 | 17 | 2022 |
| Graph-convolutional neural networks for (QM) ML/MM molecular dynamics simulations A Hofstetter, L Böselt, S Riniker Physical Chemistry Chemical Physics 24 (37), 22497-22512, 2022 | 9 | 2022 |
Lyndon EmsleyEcole Polytechnique Fédérale de Lausanne (EPFL)Verified email at epfl.ch
