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Francesco Calcagno

Showing results (1-10 of 6) with videos related to

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Journal of Chemical Theory and Computation|February 3, 2026
QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular DesignYue Yu, Francesco Calcagno, Haote Li, et al.
Journal of Computational Chemistry|March 21, 2024
Modeling solvent effects and convergence of <sup>31</sup>P-NMR shielding calculations with COBRAMMFrancesco Calcagno, Boris Maryasin, Marco Garavelli, et al.
Journal of Chemical Theory and Computation|March 16, 2026
Quantum Chemistry-Driven Molecular Inverse Design of Stable Isomers with Data-Free Reinforcement LearningFrancesco Calcagno, Luca Serfilippi, Giorgio Franceschelli, et al.
Digital Discovery|December 12, 2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representationsSalvatore Sorrentino, Alessandro Gussoni, Francesco Calcagno, et al.
Molecules (Basel, Switzerland)|April 3, 2021
Polymerization Isomerism in Co-M (M = Cu, Ag, Au) Carbonyl Clusters: Synthesis, Structures and Computational InvestigationCristiana Cesari, Beatrice Berti, Francesco Calcagno, et al.
Chemical Record (New York, N.Y.)|April 14, 2025
Advancing CO<sub>2</sub> Conversion with Cu-LDHs: A Review of Computational and Experimental StudiesFabio Loprete, Eleonora Tosi Brandi, Francesco Calcagno, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|February 3, 2026
QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular DesignYue Yu, Francesco Calcagno, Haote Li, et al.
Journal of Computational Chemistry|March 21, 2024
Modeling solvent effects and convergence of <sup>31</sup>P-NMR shielding calculations with COBRAMMFrancesco Calcagno, Boris Maryasin, Marco Garavelli, et al.
Journal of Chemical Theory and Computation|March 16, 2026
Quantum Chemistry-Driven Molecular Inverse Design of Stable Isomers with Data-Free Reinforcement LearningFrancesco Calcagno, Luca Serfilippi, Giorgio Franceschelli, et al.
Digital Discovery|December 12, 2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representationsSalvatore Sorrentino, Alessandro Gussoni, Francesco Calcagno, et al.
Molecules (Basel, Switzerland)|April 3, 2021
Polymerization Isomerism in Co-M (M = Cu, Ag, Au) Carbonyl Clusters: Synthesis, Structures and Computational InvestigationCristiana Cesari, Beatrice Berti, Francesco Calcagno, et al.
Chemical Record (New York, N.Y.)|April 14, 2025
Advancing CO<sub>2</sub> Conversion with Cu-LDHs: A Review of Computational and Experimental StudiesFabio Loprete, Eleonora Tosi Brandi, Francesco Calcagno, et al.
Pageof 1