PUBLICATIONS

See the Google Scholar profile for the updated list.

1. Deep learning the slow modes for rare events sampling
   L. Bonati, G. Piccini and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. (2021), 118 (44)
2. Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
   M. Yang, L. Bonati, D. Polino and M. Parrinello, Catalysis Today (2021)
3. Training collective variables for enhanced sampling via neural networks based discriminant analysis
   L. Bonati, Nuovo Cimento C (2021), 44, 125. Best communications presented at the 106th National Congress of the Italian Physical Society.
4. The role of water in host-guest interaction
   V. Rizzi, L. Bonati, N. Ansari and M. Parrinello, Nature Communications (2021), 12, 93
5. Data driven collective variables for enhanced sampling
   L. Bonati, V. Rizzi and M. Parrinello, Journal Physical Chemistry Letters (2020), 11, 2998-3004
6. Ab initio phase diagram and nucleation of gallium
   H. Niu, L. Bonati, P. Piaggi and M. Parrinello, Nature Communications (2020), 11, 2654
7. Neural networks-based variationally enhanced sampling
   L. Bonati, Y.-Y. Zhang and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. (2019), 116 (36)
8. Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep Metadynamics
   L. Bonati and M. Parrinello, Physical Review Letters (2018), 121, 265701