CONTE, RICCARDO
CONTE, RICCARDO
Dipartimento di Chimica
Quantum Vibrational Spectroscopy with Classical Trajectories
2026 R. Conte, C. Aieta, M. Ceotto
New Permutationally Invariant Polynomial Potential Energy Surfaces for H5O2+ with Fast Analytical Gradients Calculated Using Reverse Differentiation
2026 S. Kotaru, C. Qu, P.L. Houston, Q. Yu, R. Conte, A. Nandi, J.M. Bowman
Computational spectroscopy using MULTIMODE and machine-learned potentials
2026 C. Qu, T.C. Allison, P.L. Houston, R. Conte, A. Nandi, J.M. Bowman
Nuclear quantum effects in condensed phase: The case of the "association band" of liquid water
2026 M. Cazzaniga, D. Moscato, R. Conte, M. Ceotto
A Time Averaged Approach to IR Spectroscopy
2025 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
“Gold-Standard” Δ-Machine Learned Transferable Potential for Linear Alkanes
2025 C. Qu, A. Nandi, P.L. Houston, Q. Yu, R. Conte, J.M. Bowman
Quantum dynamics through a handful of semiclassical trajectories
2025 C. Aieta, M. Cazzaniga, D. Moscato, C. Lanzi, L. Bocchi, M.M. Costanza, M. Ceotto, R. Conte
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
2025 R. Conte, G. Mandelli, G. Botti, D. Moscato, C. Lanzi, M. Cazzaniga, C. Aieta, M. Ceotto
An extended semiclassical initial value representation approach to IR spectroscopy
2025 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web‐Platform
2025 R. Conte, M. Gandolfi, D. Moscato, C. Aieta, S. Valtolina, M. Ceotto
Quantum Nature of Ubiquitous Vibrational Features Revealed for Ethylene Glycol
2025 A. Nandi, R. Conte, P. Pandey, P.L. Houston, C. Qu, Q. Yu, J.M. Bowman
Revisiting the H5O2+ IR Spectrum with VSCF/VCI and the Influence of Mark Johnson’s Experiments in Advancing the Theory of Protonated Water Clusters
2025 R. Ma, C. Qu, P.L. Houston, R. Conte, A. Nandi, J.M. Bowman, Q. Yu
A perspective marking 20 years of using permutationally invariant polynomials for molecular potentials
2025 J.M. Bowman, C. Qu, R. Conte, A. Nandi, P.L. Houston, Q. Yu
Quantumness of classical-trajectory-based methods for vibrational spectroscopy
2025 J. Zeng, R. Conte, M. Ceotto
Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials
2025 Q. Yu, R. Ma, C. Qu, R. Conte, A. Nandi, P. Pandey, P.L. Houston, D.H. Zhang, J.M. Bowman
The IR spectrum of liquid water in the OH(D)-stretch region and beyond using q-AQUA-pol and the quantum local monomer theory
2025 Q. Yu, J.M. Bowman, C. Qu, A. Nandi, R. Conte, P.L. Houston
A Time Averaged Semiclassical Approach to IR Spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Building accurate and efficient ab initio potential energy surfaces for vibrational spectroscopy calculations via permutationally invariant polynomials
2024 R. Conte
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