CONTE, RICCARDO

CONTE, RICCARDO  

Dipartimento di Chimica  

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Risultati 1 - 20 di 118 (tempo di esecuzione: 0.0 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
Formic Acid–Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer 2024 Conte, Riccardo + Article (author) -
Ab Initio Potential Energy Surface for NaCl–H2 with Correct Long-Range Behavior 2024 Conte, Riccardo + Article (author) -
A New A Priori Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation 2024 Conte, Riccardo + Article (author) -
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine 2024 Moscato, DavideMandelli, GiacomoConte, RiccardoCeotto, Michele + Article (author) -
A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches 2024 Conte, RiccardoAieta, ChiaraCazzaniga, MarcoCeotto, Michele Article (author) -
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2– 2024 Conte, Riccardo + Article (author) -
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials 2024 Conte, Riccardo + Article (author) -
Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine 2024 Conte, Riccardo + Article (author) -
A time averaged semiclassical approach to IR spectroscopy 2024 Lanzi, CeciliaAieta, ChiaraCeotto, MicheleConte, Riccardo Article (author) -
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities 2023 Conte, RiccardoAieta, ChiaraBotti, GiacomoGandolfi, MicheleLanzi, CeciliaMandelli, GiacomoMoscato, DavideCeotto, Michele + Article (author) -
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems 2023 Davide MoscatoRiccardo ConteChiara AietaGiacomo BottiMarco CazzanigaMichele GandolfiCecilia LanziGiacomo MandelliMichele Ceotto Conference Object -
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 2023 Conte, RiccardoLanzi, CeciliaBotti, GiacomoMandelli, GiacomoMoscato, DavideAieta, ChiaraCeotto, Michele Conference Object -
A semiclassical route to the calculation of IR spectra 2023 Cecilia LanziChiara AietaMichele CeottoRiccardo Conte Conference Object -
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH5+ 2023 Conte, Riccardo + Article (author) -
The first HyDRA challenge for computational vibrational spectroscopy 2023 Mandelli, GiacomoLanzi, CeciliaConte, RiccardoCeotto, Michele + Article (author) -
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands 2023 Conte, Riccardo + Article (author) -
A Status Report on "Gold Standard" Machine-Learned Potentials for Water 2023 Conte, Riccardo + Article (author) -
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations 2023 Conte, Riccardo + Article (author) -
PESPIP: Software to Fit Complex Molecular and Many-body Potential Energy Surfaces with Permutationally Invariant Polynomials 2023 Conte, Riccardo + Article (author) -
Using AS SCIVR to understand Proline vibrational spectrum 2023 G. BottiC. D. AietaM. CeottoR. Conte Conference Object -