Phone
+39 010 2897 439
Research center
CHT@Erzelli
All Publications
2026
Tripathi S., Bonati L., Perego S., Parrinello M.
Nitrogen adsorption and dissociation on flat and stepped Fe(110) surfaces
Journal of Catalysis, vol. 454
2025
Das S., Raucci U., Trizio E., Kang P., Neves R.P., Ramos M.J., Parrinello M.
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
ACS Catalysis, vol. 15, (no. 11), pp. 9785-9792
2025
Visigalli A., Trizio E., Bonati L., Vidossich P., Parrinello M., De Vivo M.
Coordinated Residue Motions at the Enzyme-Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society
2025
Parrinello M., Greed S.
Discussions with a dignitary of molecular dynamics
Nature Reviews Chemistry, vol. 9, (no. 9)
2025
Tian X., Tosello Gardini A., Raucci U., Xiao H., Zhuo Y., Parrinello M.
Electrochemical potential-driven water dynamics control CO2 electroreduction at the Ag/H2O interface
Nature Communications, vol. 16, (no. 1)
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
2025
Parrinello M.
Erwin Schrödinger Institute Medal
2025
Parrinello M.
USI Medal
2024
Parrinello M.
Clarivate Citation Laureate
2024
Parrinello M.
Foreign Member of the Chinese Academy of science
2021
Parrinello M.
Giulio Natta 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
Colleagues of Atomistic Simulations
