Enrico Trizio

Italian Institute of Technology — Italy

Materials Science · Physical Sciences

9h-index306citations26works6.82yr avg
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Research Topics

Machine Learning in Materials Science(12), Protein Structure and Dynamics(10), Spectroscopy and Quantum Chemical Studies(6), Gaussian Processes and Bayesian Inference(4), Computational Drug Discovery Methods(3)

Publications26 total

Ceci n'est pas un committor, yet it samples like one: efficient sampling via approximated committor functions
arXiv (Cornell University)·2026Open Access
Ceci n'est pas un committor, yet it samples like one: efficient sampling via approximated committor functions
arXiv (Cornell University)·2026Open Access
Committors without Descriptors
Journal of Chemical Theory and Computation·2026Open Access
Supplementary data for: "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Supplementary data for: "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
PETase learns from LCC: reprogramming enzymatic reactivity with probability-based simulations
2026Open Access
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Chemical Reviews·2025· 10 citedOpen Access
Coordinated Residue Motions at the Enzyme–Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society·2025· 2 citedOpen Access
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
ACS Catalysis·2025· 9 cited
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
Nature Computational Science·2025· 13 cited
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
2025Open Access
Descriptor-Free Collective Variables from Geometric Graph Neural Networks
Journal of Chemical Theory and Computation·2024· 19 cited
Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
arXiv (Cornell University)·2024· 8 citedOpen Access
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
arXiv (Cornell University)·2024· 3 citedOpen Access
Descriptors-free Collective Variables From Geometric Graph Neural Networks
arXiv (Cornell University)·2024· 2 citedOpen Access
Computing the committor with the committor to study the transition state ensemble
Nature Computational Science·2024· 48 citedOpen Access
Author response for "Structure and polymerization of liquid sulfur across the λ-transition"
2024
Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble
arXiv (Cornell University)·2024Open Access
Structure and polymerization of liquid sulfur across the λ-transition
Chemical Science·2024· 15 citedOpen Access
Structure and polymerization of liquid sulfur across the $λ$-transition
arXiv (Cornell University)·2023Open Access
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Frequent Co-authors

Michele Parrinello(18), Pei‐Lin Kang(6), Jintu Zhang(4), Leo H. Bonati(4), Luigi Bonati(3), Tingjun Hou(3), Manyi Yang(3), Umberto Raucci(3), Peilin Kang(3), Andrea Rizzi(2), Dhiman Ray(2), Odin Zhang(2), Yu Kang(2), Sudip Das(2), Rui P. P. Neves(2), Maria J. Ramos(2), Giorgia Rossi(2), Michele Parrinello(2), José Pablo Rivas-Fernández(2), Óscar Vidal(2)