Phone
+39 010 2897 439
Research center
CHT@Erzelli
All Publications
2026
Trizio E., Rossi G., Parrinello M.
Ceci n’est pas un committor, yet it samples like one: Efficient sampling via approximated committor functions
Journal of Chemical Physics, vol. 164, (no. 13)
Article
Journal
2026
Kang P., Zhang J., Trizio E., Hou T., Parrinello M.
Committors without Descriptors
Journal of Chemical Theory and Computation, vol. 22, (no. 4), pp. 1613-1620
Article
Journal
2026
Vidal-Girones O., Trizio E., Kang P., Parrinello M., Rivas-Fernandez J.P., Rovira C.
Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1
Journal of Chemical Information and Modeling, vol. 66, (no. 10), pp. 6086-6096
2026
De Angelis P., Raucci U., Mambretti F., Fasano M., Chiavazzo E., Asinari P., Parrinello M.
Exploring lithium diffusion in LiF with machine learning potentials: from point defects to collective ring diffusion
npj Computational Materials, vol. 12, (no. 1)
2026
Rossi G., Trizio E., Bochicchio D., Rossi G., Parrinello M.
Let’s Stalk about Membranes: Committor-Based Enhanced Sampling of Stalk Formation
Journal of Physical Chemistry Letters, vol. 17, (no. 36), pp. 10518-10524
Article
Journal
Scientific Talks
2024
Trizio E., Kang P., Parrinello M.
Computing the committor using the committor to study the transitions state ensemble
CSI workshop 2024 - Princeton University
Workshop/Symposium
2024
Raucci U., Tosello Gardini A., Yang M., Mambretti F., Parrinello M.
Revealing the Dynamic Behavior ofHeterogeneous Catalysts viaMachine Learning-DrivenMolecular Dynamics
Nano Innovation 2024
Conference
2024
Raucci U., Yang M., Tosello Gardini A., Mambretti F., Parrinello M.
The Role of Catalyst Dynamics in Ammonia Synthesis and Decomposition
CECAM Workshop: Advances in Catalytic Reactivity Simulations Under Operando Conditions
Conference
2021
Parrinello M.
Artificial Intelligence meets Atomistic Simulations
Summit on Artificial Intelligence G20 Event
Workshop/Symposium
2021
Parrinello M.
Keynote Speaker
INM-IBI Retreat
Workshop/Symposium
Oral presentations
2021
Bonati L., Parrinello M.
Building machine learning potentials for reactive events using enhanced sampling methods
ML-IP Psi-k Young & Early Career Researchers' Workshop
Conference
Awards and Achievements
2026
Parrinello M.
6th ICReDD Award
2026
Parrinello M.
Magister Peloritanus
2026
Parrinello M.
Th HPC Wire 35 Legend
2025
Parrinello M.
Erwin Schrödinger Institute Medal
2025
Parrinello M.
USI Medal
Organized Events
2024
Bonati L., Glezakou V., Head-Gordon T., Head-Gordon M., Parrinello M., Piccini G.
Advances in catalytic reactivity simulations under operando conditions