Federico Lazzari

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

Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality

Marta Martino, Andrea Salvadori, Federico Lazzari et al. · Journal of Computational Chemistry · 2020 · 36 citations · Full text

Virtual Reality Convey, Engineering, Mixed Reality +17

Molecular Perception for Visualization and Computation: The Proxima Library

Federico Lazzari, Andrea Salvadori, Giordano Mancini et al. · Journal of Chemical Information and Modeling · 2020 · 31 citations · Full text

General Introduction, Engineering, Computational Biology +12

Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach

Vincenzo Barone, Giorgia Ceselin, Federico Lazzari et al. · The Journal of Physical Chemistry A · 2023 · 29 citations · Full text

Engineering, Medium Size Molecules, Dft Cost +20