Luigi Bonati

13PUBLICATIONS
74CO-AUTHORS
PyrometallurgyDeep learningTheoretical quantum chemistrySemi- and unsupervised learningStatistical mechanics in chemistry
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Publications (13)

|Nov 19, 2025
No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition.

Simone Perego, Maximilian Purcel, Yannick Baum

|Oct 22, 2025
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications.

Kai Zhu, Enrico Trizio, Jintu Zhang

|Sep 15, 2025
Weighted active space protocol for multireference machine-learned potentials.

Aniruddha Seal, Simone Perego, Matthew R Hennefarth

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

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|May 27, 2024
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm.

Jintu Zhang, Odin Zhang, Luigi Bonati

|May 15, 2024
Deep learning path-like collective variable for enhanced sampling molecular dynamics.

Thorben Fröhlking, Luigi Bonati, Valerio Rizzi

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