Luigi Bonati

1. Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
   2020/11/23 by Manyi Yang, Yang, Manyi, Luigi Bonati +5 · 3 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics
2. Deep learning path-like collective variable for enhanced sampling molecular dynamics
   2024/02/02 by Thorben Fröhlking, Fröhlking, Thorben, Luigi Bonati +5 · 4 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Biological Physics (physics.bio-ph) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Metabolomics and Mass Spectrometry Studies #Spectroscopy Techniques in Biomedical and Chemical Research
3. PLUMED Tutorials: a collaborative, community-driven learning ecosystem
   2024/11/29 by Gareth A. Tribello, Massimiliano Bonomi, Tribello, Gareth A. +124 · 1 voice · 5 citations
   Computer Science · Decision Sciences · Engineering · Psychology · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Innovative Teaching and Learning Methods #Open Education and E-Learning #Physics Education (physics.ed-ph)
4. Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
   2024/10/23 by Enrico Trizio, Andrea Rizzi, Trizio, Enrico +7 · 3 citations
   Computer Science · #Biological Physics (physics.bio-ph) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Neural Networks and Applications
5. Combining transition path sampling with data-driven collective variables through a reactivity-biased shooting algorithm
   2024/04/03 by Jintu Zhang, Odin Zhang, Zhang, Jintu +5 · 1 citation
   Agricultural and Biological Sciences · Engineering · #Insect Pheromone Research and Control #Vehicle emissions and performance
6. Weighted Active Space Protocol for Multireference Machine-Learned Potentials
   2025/05/15 by Aniruddha Seal, Simone Perego, Seal, Aniruddha +13 · 1 voice · 1 citation
   Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Statistical Mechanics (cond-mat.stat-mech) #cond-mat.stat-mech #physics.chem-ph