Luigi Bonati

ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 10

Top Venues

Journal of chemical theory and computation

Proceedings of the National Academy of Sciences of the United States of America

Nature communications

The Journal of chemical physics

Università della Svizzera Italiana

Eidgenössische Technische Hochschule Zürich (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Università della Svizzera Italiana

Switzerland

Doctoral Assistant :: Computational Sciences

Education History

Eidgenössische Technische Hochschule Zürich

Switzerland

PHD :: Physics

Publications

Thorben Fröhlking, Luigi Bonati, Valerio Rizzi, Francesco Luigi Gervasio
Deep learning path-like collective variable for enhanced sampling molecular dynamics. The Journal of chemical physics 160 (17) (2024)
Jintu Zhang, Odin Zhang, Luigi Bonati, Ting-Jun Hou
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm. Journal of chemical theory and computation (2024)
Jintu Zhang, Odin Zhang, Luigi Bonati, Ting-Jun Hou
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm. Journal of chemical theory and computation 20 (11) (2024)
Luigi Bonati, Enrico Trizio, Andrea Rizzi, Michele Parrinello
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar. The Journal of chemical physics 159 (1) (2023)
Luigi Bonati, Daniela Polino, Cristina Pizzolitto, Pierdomenico Biasi, Rene Eckert, Stephan Reitmeier, Robert Schlögl, Michele Parrinello
The role of dynamics in heterogeneous catalysis: Surface diffusivity and N 2 decomposition on Fe(111). Proceedings of the National Academy of Sciences of the United States of America 120 (50) (2023)
Pietro Novelli, Luigi Bonati, Massimiliano Pontil, Michele Parrinello
Characterizing Metastable States with the Help of Machine Learning. Journal of chemical theory and computation 18 (9) (2022)
Valerio Rizzi, Luigi Bonati, Narjes Ansari, Michele Parrinello
The role of water in host-guest interaction. Nature communications 12 (1) (2021)
Luigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Deep learning the slow modes for rare events sampling. Proceedings of the National Academy of Sciences of the United States of America 118 (44) (2021)
Luigi Bonati, Valerio Rizzi, Michele Parrinello
Data-Driven Collective Variables for Enhanced Sampling. The journal of physical chemistry letters 11 (8) (2020)
Haiyang Niu, Luigi Bonati, Pablo M Piaggi, Michele Parrinello
Ab initio phase diagram and nucleation of gallium. Nature communications 11 (1) (2020)

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Publication Activity (10 Years)

Top Topics

Top Venues

Luigi Bonati