CONTE, RICCARDO
CONTE, RICCARDO
Dipartimento di Chimica
Ab Initio Potential Energy Surface for NaCl–H2 with Correct Long-Range Behavior
2024 P. Pandey, C. Qu, A. Nandi, Q. Yu, P.L. Houston, R. Conte, J.M. Bowman
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024 D. Moscato, G. Mandelli, M. Bondanza, F. Lipparini, R. Conte, B. Mennucci, M. Ceotto
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2–
2024 P. Pandey, M. Arandhara, P.L. Houston, C. Qu, R. Conte, J.M. Bowman, S.G. Ramesh
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials
2024 P.L. Houston, C. Qu, Q. Yu, P. Pandey, R. Conte, A. Nandi, J.M. Bowman
Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine
2024 F. Ge, R. Wang, C. Qu, P. Zheng, A. Nandi, R. Conte, P.L. Houston, J.M. Bowman, P.O. Dral
A New A Priori Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation
2024 P.L. Houston, C. Qu, Q. Yu, P. Pandey, R. Conte, A. Nandi, J.M. Bowman
A time averaged semiclassical approach to IR spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Formic Acid–Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer
2024 P.L. Houston, C. Qu, Q. Yu, P. Pandey, R. Conte, A. Nandi, J.M. Bowman, S.G. Kukolich
Using AS SCIVR to understand Proline vibrational spectrum
2023 G. Botti, C.D. Aieta, M. Ceotto, R. Conte
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH5+
2023 C. Qu, Q. Yu, P.L. Houston, P. Pandey, R. Conte, A. Nandi, J.M. Bowman
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations
2023 C. Qu, P.L. Houston, Q. Yu, R. Conte, P. Pandey, A. Nandi, J.M. Bowman
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
2023 D. Barbiero, G. Bertaina, M. Ceotto, R. Conte
Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations
2023 G. Botti, M. Ceotto, R. Conte
A semiclassical route to the calculation of IR spectra
2023 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules
2023 R. Conte, C. Lanzi, G. Botti, G. Mandelli, D. Moscato, C. Aieta, M. Ceotto
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems
2023 D. Moscato, R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, M. Ceotto
A Status Report on "Gold Standard" Machine-Learned Potentials for Water
2023 Q. Yu, C. Qu, P.L. Houston, A. Nandi, P. Pandey, R. Conte, J.M. Bowman
The first HyDRA challenge for computational vibrational spectroscopy
2023 T.L. Fischer, M. Bödecker, S.M. Schweer, J. Dupont, V. Lepère, A. Zehnacker-Rentien, M.A. Suhm, B. Schröder, T. Henkes, D.M. Andrada, R.M. Balabin, H.K. Singh, H.P. Bhattacharyya, M. Sarma, S. Käser, K. Töpfer, L.I. Vazquez-Salazar, E.D. Boittier, M. Meuwly, G. Mandelli, C. Lanzi, R. Conte, M. Ceotto, F. Dietrich, V. Cisternas, R. Gnanasekaran, M. Hippler, M. Jarraya, M. Hochlaf, N. Viswanathan, T. Nevolianis, G. Rath, W.A. Kopp, K. Leonhard, R.A. Mata
Δ-Machine Learned Potential Energy Surfaces and Force Fields
2023 J.M. Bowman, C. Qu, R. Conte, A. Nandi, P.L. Houston, Q. Yu
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities
2023 R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, D. Moscato, M. Ceotto