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Physical Review Letters
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January 13, 2019
Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep Metadynamics
Luigi Bonati, Michele Parrinello
The Journal of Physical Chemistry Letters
|
April 3, 2020
Data-Driven Collective Variables for Enhanced Sampling
Luigi Bonati, Valerio Rizzi, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 28, 2021
Deep learning the slow modes for rare events sampling
Luigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
August 17, 2019
Neural networks-based variationally enhanced sampling
Luigi Bonati, Yue-Yu Zhang, Michele Parrinello
The Journal of Chemical Physics
|
July 6, 2023
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar
Luigi Bonati, Enrico Trizio, Andrea Rizzi, et al.
Journal of Chemical Theory and Computation
|
May 27, 2024
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm
Jintu Zhang, Odin Zhang, Luigi Bonati, et al.
Nature Communications
|
January 5, 2021
The role of water in host-guest interaction
Valerio Rizzi, Luigi Bonati, Narjes Ansari, et al.
Journal of Chemical Theory and Computation
|
August 3, 2022
Characterizing Metastable States with the Help of Machine Learning
Pietro Novelli, Luigi Bonati, Massimiliano Pontil, et al.
Chirurgia Italiana
|
April 11, 2002
[Gastric polyps: a clinical contribution]
Roberto Sivelli, Paolo Del Rio, Luigi Bonati, et al.
The Journal of Chemical Physics
|
May 15, 2024
Deep learning path-like collective variable for enhanced sampling molecular dynamics
Thorben Fröhlking, Luigi Bonati, Valerio Rizzi, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Physical Review Letters
|
January 13, 2019
Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep Metadynamics
Luigi Bonati, Michele Parrinello
The Journal of Physical Chemistry Letters
|
April 3, 2020
Data-Driven Collective Variables for Enhanced Sampling
Luigi Bonati, Valerio Rizzi, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 28, 2021
Deep learning the slow modes for rare events sampling
Luigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
August 17, 2019
Neural networks-based variationally enhanced sampling
Luigi Bonati, Yue-Yu Zhang, Michele Parrinello
The Journal of Chemical Physics
|
July 6, 2023
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar
Luigi Bonati, Enrico Trizio, Andrea Rizzi, et al.
Journal of Chemical Theory and Computation
|
May 27, 2024
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm
Jintu Zhang, Odin Zhang, Luigi Bonati, et al.
Nature Communications
|
January 5, 2021
The role of water in host-guest interaction
Valerio Rizzi, Luigi Bonati, Narjes Ansari, et al.
Journal of Chemical Theory and Computation
|
August 3, 2022
Characterizing Metastable States with the Help of Machine Learning
Pietro Novelli, Luigi Bonati, Massimiliano Pontil, et al.
Chirurgia Italiana
|
April 11, 2002
[Gastric polyps: a clinical contribution]
Roberto Sivelli, Paolo Del Rio, Luigi Bonati, et al.
The Journal of Chemical Physics
|
May 15, 2024
Deep learning path-like collective variable for enhanced sampling molecular dynamics
Thorben Fröhlking, Luigi Bonati, Valerio Rizzi, et al.
Page
of 3