Giordano Mancini

15PUBLICATIONS
28CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Atomic and molecular physicsTheoretical quantum chemistryBiomolecular modelling and designStatistical mechanics in chemistry
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Publications (15)

|Feb 03, 2023
Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine.

V Barone, M Fusè, R Aguado

|Feb 02, 2023
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

|Sep 27, 2022
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV-Vis Spectrum of TEMPO Radical in Different Solvents.

Emanuele Falbo, Marco Fusè, Federico Lazzari

|Sep 23, 2022
L-DOPA and Droxidopa: From Force Field Development to Molecular Docking into Human β2-Adrenergic Receptor.

Andrea Catte, Akash Deep Biswas, Giordano Mancini

|Aug 20, 2022
Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine.

Iker León, Marco Fusè, Elena R Alonso

|Apr 27, 2022
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution.

Vincenzo Barone, Ivan Carnimeo, Giordano Mancini

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Frequent Collaborators

12 joint publications

Vincenzo Barone

7 joint publications

Marco Fusè

3 joint publications

Federico Lazzari

3 joint publications

Cristina Puzzarini