Fabio Pietrucci

22PUBLICATIONS
91CO-AUTHORS
CrystallographyProteins and peptidesSemi- and unsupervised learningReaction kinetics and dynamicsComputational chemistry
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Publications (22)

|Sep 22, 2026
A rigorous data-driven approach to defect nucleation in metals linking kinetic properties and (dis)order parameters.

|Sep 26, 2025
Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields.

Samuel Murail, Jaysen Sawmynaden, Akli Zemirli

|Mar 04, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Oct 26, 2023
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models.

David Daniel Girardier, Hadrien Vroylandt, Sara Bonella

|Sep 28, 2023
CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Changru Ma, Fabio Pietrucci, Wanda Andreoni

|Aug 07, 2023
Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition Paths.

Line Mouaffac, Karen Palacio-Rodriguez, Fabio Pietrucci

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Frequent Collaborators

4 joint publications

Théo Magrino

3 joint publications

Karen Palacio-Rodriguez

2 joint publications

Pilar Cossio

2 joint publications

David Daniel Girardier