Davide Avagliano
14PUBLICATIONS
110CO-AUTHORS
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Publications (14)
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|Apr 08, 2026
Robustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics.Eya Derbali, Davide Avagliano, Mourad Telmini
|Mar 04, 2026
PULSE-PySpawn: Time-Resolved Transient Absorption Simulation through Ab Initio Multiple Spawning Dynamics with Explicit Pulses.Carlo Albani, Davide Avagliano
|Feb 18, 2026
Discovery of tunable and soluble organic emitters for solid-state lasers with a self-driving laboratory.Hyun Suk Park, Mahdi Mazaheri, Changhyeok Choi
|Dec 12, 2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations.Salvatore Sorrentino, Alessandro Gussoni, Francesco Calcagno
|Sep 30, 2025
Benchmarking Density Functional Approximations in Nonadiabatic Dynamics: Trans-Cis Isomerization in Retinal Model.Lea M Ibele, Carlo Adamo, Davide Avagliano
|Feb 11, 2025
Solvent Effects on Nonadiabatic Dynamics: Ab Initio Multiple Spawning Propagated on CASPT2/xTB Potentials.Davide Avagliano
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Frequent Collaborators
5 joint publications
Marco Garavelli
3 joint publications
Artur Nenov
3 joint publications
Alán Aspuru-Guzik
3 joint publications
Lea M Ibele
3 joint publications
Ivan Rivalta
2 joint publications
Leticia González
2 joint publications
Francesco Calcagno
2 joint publications
Francesco Segatta
1 joint publications
Ignacio Fdez Galván
1 joint publications
Flavia Aleotti
