Marco Fusè

Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals

Vincenzo Barone, Giorgia Ceselin, Marco Fusè et al. · Frontiers in Chemistry · 2020 · 88 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer

Fan Xie, Marco Fusè, Arsh S. Hazrah et al. · Angewandte Chemie International Edition · 2020 · 57 citations · Full text

Conformational Searches, Ternary Chiral Cluster, Engineering +19

Vibrational circular dichroism and chiroptical properties of chiral Ir(<scp>iii</scp>) luminescent complexes

Giuseppe Mazzeo, Marco Fusè, Giovanna Longhi et al. · Dalton Transactions · 2015 · 45 citations

Vcd Spectra, Chiroptical Properties, Engineering +19

Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy

Vincenzo Barone, Marco Fusè, Federico Lazzari et al. · Journal of Chemical Theory and Computation · 2023 · 44 citations · Full text

Engineering, Amino Acids, Biomolecular Structure Prediction +19

Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm

Giordano Mancini, Marco Fusè, Federico Lazzari et al. · The Journal of Chemical Physics · 2020 · 40 citations · Full text

Artificial Intelligence, Engineering, Computational Chemistry +17