Riccardo Conte
Affiliations: | Università degli Studi di Milano, Italy, Milano, Lombardia, Italy |
Area:
Theoretical Chemistry, Semiclassical Dynamics, QCT DynamicsGoogle:
"Riccardo Conte"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Joel M. Bowman | post-doc | Emory | |
| Michele Ceotto | post-doc | Università degli Studi di Milano | |
| Eli Pollak | post-doc | Weizmann Institute |
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Publications
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| Conte R, Mandelli G, Botti G, et al. (2024) Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems. Chemical Science. 16: 20-28 |
| Qu C, Houston PL, Conte R, et al. (2024) Dynamics Calculations of the Flexibility and Vibrational Spectrum of the Linear Alkane CH, Based on Machine-Learned Potentials. The Journal of Physical Chemistry. A. 128: 10713-10722 |
| Nandi A, Pandey P, Houston PL, et al. (2024) Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD() Level Illustrated for Ethanol. Journal of Chemical Theory and Computation |
| Conte R, Aieta C, Cazzaniga M, et al. (2024) A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches. The Journal of Physical Chemistry Letters. 7566-7576 |
| Lanzi C, Aieta C, Ceotto M, et al. (2024) A time averaged semiclassical approach to IR spectroscopy. The Journal of Chemical Physics. 160 |
| Ge F, Wang R, Qu C, et al. (2024) Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine. The Journal of Physical Chemistry Letters. 4451-4460 |
| Pandey P, Arandhara M, Houston PL, et al. (2024) Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for HO. The Journal of Physical Chemistry. A |
| Houston PL, Qu C, Yu Q, et al. (2024) No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials. Journal of Chemical Theory and Computation |
| Moscato D, Mandelli G, Bondanza M, et al. (2024) Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society |
| Houston PL, Qu C, Yu Q, et al. (2024) Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer. Journal of Chemical Theory and Computation |