| Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD (T) level of theory A Nandi, C Qu, PL Houston, R Conte, JM Bowman The Journal of Chemical Physics 154 (5), 2021 | 115 | 2021 |
| Semiclassical “Divide-and-Conquer” method for spectroscopic calculations of high dimensional molecular systems M Ceotto, G Di Liberto, R Conte Physical Review Letters 119 (1), 010401, 2017 | 83 | 2017 |
| On-the-fly ab initio semiclassical calculation of glycine vibrational spectrum F Gabas, R Conte, M Ceotto Journal of chemical theory and computation 13 (6), 2378-2388, 2017 | 75 | 2017 |
| Permutationally invariant fitting of many-body, non-covalent interactions with application to three-body methane–water–water R Conte, C Qu, JM Bowman Journal of Chemical Theory and Computation 11 (4), 1631-1638, 2015 | 74 | 2015 |
| “Plug and play” full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH 4–H 2 O C Qu, R Conte, PL Houston, JM Bowman Physical Chemistry Chemical Physics 17 (12), 8172-8181, 2015 | 68 | 2015 |
| Reproducing deep tunneling splittings, resonances, and quantum frequencies in vibrational spectra from a handful of direct ab initio semiclassical trajectories R Conte, A Aspuru-Guzik, M Ceotto The journal of physical chemistry letters 4 (20), 3407-3412, 2013 | 61 | 2013 |
| q-AQUA: A many-body CCSD (T) water potential, including four-body interactions, demonstrates the quantum nature of water from clusters to the liquid phase Q Yu, C Qu, PL Houston, R Conte, A Nandi, JM Bowman The Journal of Physical Chemistry Letters 13 (22), 5068-5074, 2022 | 55 | 2022 |
| How many water molecules are needed to solvate one? A Rognoni, R Conte, M Ceotto Chemical Science 12 (6), 2060-2064, 2021 | 53 | 2021 |
| Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation PL Houston, R Conte, JM Bowman | 53 | 2016 |
| Breaking the coupled cluster barrier for machine-learned potentials of large molecules: The case of 15-atom acetylacetone C Qu, PL Houston, R Conte, A Nandi, JM Bowman The Journal of Physical Chemistry Letters 12 (20), 4902-4909, 2021 | 52 | 2021 |
| “Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems G Di Liberto, R Conte, M Ceotto The Journal of Chemical Physics 148 (1), 2018 | 50 | 2018 |
| Full-dimensional, high-level ab initio potential energy surfaces for H2 (H2O) and H2 (H2O) 2 with application to hydrogen clathrate hydrates Z Homayoon, R Conte, C Qu, JM Bowman The Journal of Chemical Physics 143 (8), 2015 | 47 | 2015 |
| Protonated glycine supramolecular systems: the need for quantum dynamics F Gabas, G Di Liberto, R Conte, M Ceotto Chemical science 9 (41), 7894-7901, 2018 | 46 | 2018 |
| “Divide-and-conquer” semiclassical molecular dynamics: An application to water clusters G Di Liberto, R Conte, M Ceotto The Journal of Chemical Physics 148 (10), 2018 | 45 | 2018 |
| Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics M Micciarelli, R Conte, J Suarez, M Ceotto The Journal of chemical physics 149 (6), 2018 | 43 | 2018 |
| Graphics processing units accelerated semiclassical initial value representation molecular dynamics D Tamascelli, FS Dambrosio, R Conte, M Ceotto The Journal of chemical physics 140 (17), 2014 | 43 | 2014 |
| Δ-machine learned potential energy surfaces and force fields JM Bowman, C Qu, R Conte, A Nandi, PL Houston, Q Yu Journal of Chemical Theory and Computation 19 (1), 1-17, 2022 | 41 | 2022 |
| Communication: A benchmark-quality, full-dimensional ab initio potential energy surface for Ar-HOCO R Conte, PL Houston, JM Bowman The Journal of Chemical Physics 140 (15), 2014 | 40 | 2014 |
| Efficient generation of permutationally invariant potential energy surfaces for large molecules R Conte, C Qu, PL Houston, JM Bowman Journal of Chemical Theory and Computation 16 (5), 3264-3272, 2020 | 39 | 2020 |
| An effective semiclassical approach to IR spectroscopy M Micciarelli, F Gabas, R Conte, M Ceotto The Journal of chemical physics 150 (18), 2019 | 37 | 2019 |
Michele CeottoUniversità degli Studi di Milano在 unimi.it 的电子邮件经过验证
