CONTE, RICCARDO
CONTE, RICCARDO
Dipartimento di Chimica
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
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
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
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
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
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
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
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
2023 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
2023 D. Barbiero, G. Bertaina, M. Ceotto, R. Conte
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
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
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
Δ-Machine Learned Potential Energy Surfaces and Force Fields
2023 J.M. Bowman, C. Qu, R. Conte, A. Nandi, P.L. Houston, Q. Yu
PESPIP: Software to Fit Complex Molecular and Many-body Potential Energy Surfaces with Permutationally Invariant Polynomials
2023 P.L. Houston, C. Qu, Q. Yu, R. Conte, A. Nandi, J.K. Li, J.M. Bowman
Using AS SCIVR to understand Proline vibrational spectrum
2023 G. Botti, C.D. Aieta, M. Ceotto, R. Conte
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
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
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
2023 A. Nandi, G. Laude, S.S. Khire, N.D. Gurav, C. Qu, R. Conte, Q. Yu, S. Li, P.L. Houston, S.R. Gadre, J.O. Richardson, F.A. Evangelista, J.M. Bowman
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
Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds
2023 C. Qu, Q. Yu, P.L. Houston, R. Conte, A. Nandi, J.M. Bowman