| Ab initio thermodynamics of liquid and solid water B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019 | 281 | 2019 |
| Ab initio thermodynamics of liquid and solid water B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019 | 281 | 2019 |
| APS Members FB Kugler, J von Delft, EA Engel, Y Li, RJ Needs, AJ Parker, K Jeong, ... Sign 7 (8), 9, 0 | 77* | |
| Mapping uncharted territory in ice from zeolite networks to ice structures EA Engel, A Anelli, M Ceriotti, CJ Pickard, RJ Needs Nature communications 9 (1), 2173, 2018 | 73 | 2018 |
| Uncertainty estimation for molecular dynamics and sampling G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel, F Grasselli, M Ceriotti The Journal of Chemical Physics 154 (7), 074102, 2021 | 72 | 2021 |
| Uncertainty estimation for molecular dynamics and sampling G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel The Journal of Chemical Physics 154 (7), 074102, 2021 | 72 | 2021 |
| Liquid water contains the building blocks of diverse ice phases B Monserrat, JG Brandenburg, EA Engel, B Cheng Nature communications 11 (1), 1-8, 2020 | 70 | 2020 |
| Anharmonic nuclear motion and the relative stability of hexagonal and cubic ice EA Engel, B Monserrat, RJ Needs Physical Review X 5 (2), 021033, 2015 | 70 | 2015 |
| Giant electron-phonon interactions in molecular crystals and the importance of nonquadratic coupling B Monserrat, EA Engel, RJ Needs Physical Review B 92 (14), 140302, 2015 | 54 | 2015 |
| Assessment of Approximate Methods for Anharmonic Free Energies V Kapil, E Engel, M Rossi, M Ceriotti Journal of chemical theory and computation 15 (11), 5845-5857, 2019 | 51 | 2019 |
| 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 | 51 | 2019 |
| Generalized convex hull construction for materials discovery A Anelli, EA Engel, CJ Pickard, M Ceriotti Physical Review Materials 2 (10), 103804, 2018 | 44 | 2018 |
| A complete description of thermodynamic stabilities of molecular crystals V Kapil, EA Engel Proceedings of the National Academy of Sciences 119 (6), 2022 | 36 | 2022 |
| Improving Sample and Feature Selection with Principal Covariates Regression RK Cersonsky, BA Helfrecht, EA Engel, M Ceriotti arXiv preprint arXiv:2012.12253, 2020 | 35 | 2020 |
| Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice EA Engel, B Monserrat, RJ Needs The Journal of chemical physics 143 (24), 244708, 2015 | 25 | 2015 |
| 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, 2022 | 21 | 2022 |
| Phonon-induced localization of excitons in molecular crystals from first principles AM Alvertis, JB Haber, EA Engel, S Sharifzadeh, JB Neaton arXiv preprint arXiv:2301.11944, 2023 | 19 | 2023 |
| Importance of vibrational anharmonicity for electron-phonon coupling in molecular crystals AM Alvertis, EA Engel Physical Review B 105 (18), L180301, 2022 | 16 | 2022 |
| The importance of nuclear quantum effects for NMR crystallography EA Engel, V Kapil, M Ceriotti arXiv preprint arXiv:2106.14171, 2021 | 11 | 2021 |
| Vibrational effects on surface energies and band gaps in hexagonal and cubic ice EA Engel, B Monserrat, RJ Needs The Journal of chemical physics 145 (4), 044703, 2016 | 11 | 2016 |
