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Bonati, Luigi
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1

Unraveling the crystallization kinetics of the Ge2Sb2Te5 ph..:

Abou El Kheir, Omar ; Bonati, Luigi ; Parrinello, Michele.
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Combining Transition Path Sampling with Data-Driven Collect..:

Zhang, Jintu ; Zhang, Odin ; Bonati, Luigi.
Journal of Chemical Theory and Computation.  20 (2024)  11 - p. 4523-4532 , 2024
Link: https://doi.org/10.1021/..
 
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3

How Poisoning Is Avoided in a Step of Relevance to the Habe..:

Tripathi, Shivam ; Bonati, Luigi ; Perego, Simone.
ACS Catalysis.  14 (2024)  7 - p. 4944-4950 , 2024
Link: https://doi.org/10.1021/..
 
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4

Deep learning path-like collective variable for enhanced sa..:

Fröhlking, Thorben ; Bonati, Luigi ; Rizzi, Valerio.
The Journal of Chemical Physics.  160 (2024)  17 - p. , 2024
Link: https://doi.org/10.1063/..
 
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5

The role of dynamics in heterogeneous catalysis: Surface di..:

Bonati, Luigi ; Polino, Daniela ; Pizzolitto, Cristina...
Proceedings of the National Academy of Sciences.  120 (2023)  50 - p. , 2023
Link: https://doi.org/10.1073/..
 
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6

A unified framework for machine learning collective variabl..:

Bonati, Luigi ; Trizio, Enrico ; Rizzi, Andrea.
The Journal of Chemical Physics.  159 (2023)  1 - p. , 2023
Link: https://doi.org/10.1063/..
 
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7

Using metadynamics to build neural network potentials for r..:

Yang, Manyi ; Bonati, Luigi ; Polino, Daniela.
Catalysis Today.  387 (2022)  - p. 143-149 , 2022
Link: https://doi.org/10.1016/..
 
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8

Characterizing Metastable States with the Help of Machine L..:

Novelli, Pietro ; Bonati, Luigi ; Pontil, Massimiliano.
Journal of Chemical Theory and Computation.  18 (2022)  9 - p. 5195-5202 , 2022
Link: https://doi.org/10.1021/..
 
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9

The role of water in host-guest interaction:

Rizzi, Valerio ; Bonati, Luigi ; Ansari, Narjes.
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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10

Deep learning the slow modes for rare events sampling:

Bonati, Luigi ; Piccini, GiovanniMaria ; Parrinello, Michele
Proceedings of the National Academy of Sciences.  118 (2021)  44 - p. , 2021
Link: https://doi.org/10.1073/..
 
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11

Ab initio phase diagram and nucleation of gallium:

Niu, Haiyang ; Bonati, Luigi ; Piaggi, Pablo M..
Nature Communications.  11 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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12

Data-Driven Collective Variables for Enhanced Sampling:

Bonati, Luigi ; Rizzi, Valerio ; Parrinello, Michele
The Journal of Physical Chemistry Letters.  11 (2020)  8 - p. 2998-3004 , 2020
Link: https://doi.org/10.1021/..
 
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13

Neural networks-based variationally enhanced sampling:

Bonati, Luigi ; Zhang, Yue-Yu ; Parrinello, Michele
Proceedings of the National Academy of Sciences.  116 (2019)  36 - p. 17641-17647 , 2019
Link: https://doi.org/10.1073/..
 
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14

Neural networks-based variationally enhanced sampling:

Bonati, Luigi ; Zhang, Yue-Yu ; Parrinello, Michele
Proceedings of the National Academy of Sciences of the United States of America.  116 (2019)  36 - p. 17641-17647 , 2019
Link: https://www.jstor.org/st..
 
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15

Silicon Liquid Structure and Crystal Nucleation from Ab Ini..:

Bonati, Luigi ; Parrinello, Michele
Physical Review Letters.  121 (2018)  26 - p. , 2018
Link: https://doi.org/10.1103/..
 
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