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Michele Parrinello

Senior Researcher - Principal Investigator
Atomistic Simulations
Phone
+39 010 2897 439
Research center
CHT@Erzelli
All Publications
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
DOI 10.1021/acscatal.5c02431
Article Journal
2025
Parrinello M., Greed S.
Discussions with a dignitary of molecular dynamics
Nature Reviews Chemistry, vol. 9, (no. 9)
DOI 10.1038/s41570-025-00754-y
Note Journal
2025
Trizio E., Kang P., Parrinello M.
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
Nature Computational Science
DOI 10.1038/s43588-025-00799-5
Article Journal
2025
Novelli P., Meanti G., Buigues P., Rosasco L., Parrinello M., Pontil M., Bonati L.
Fast and Fourier Features for Transfer Learning of Interatomic Potentials
npj Computational Materials
Article Journal
2025
Tosello Gardini A., Raucci U., Parrinello M.
Machine learning-driven molecular dynamics unveils a bulk phase transformation driving ammonia synthesis on barium hydride
Nature Communications, vol. 16, (no. 1)
DOI 10.1038/s41467-025-57688-8
Article Journal
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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
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
2021
Parrinello M.
Machine Learning and Molecular Dynamics
Thomas Young Centre 15th Anniversary
Workshop/Symposium
2021
Parrinello M.
Machine Learning and Molecular Dynamics
Innovative Strategies for Neurodegenerative Diseases CECAM Pisa
Workshop/Symposium
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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
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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
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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
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Colleagues of Atomistic Simulations
Luigi Bonati Researcher Atomistic Simulations
Florian Markus Dietrich Post Doc Atomistic Simulations
Elisa Vigo Administrative Assistant Atomistic Simulations Computational mOdelling of NanosCalE and bioPhysical sysTems Computational Statistics and Machine Learning Integrative Nuclear Architecture
Benedikt Jonathan Kunz Guest Student Atomistic Simulations
Ioannis Galdadas Post Doc Atomistic Simulations
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