Franco Pellegrini

1. EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
   2024/10/12 by Allan dos Santos Costa, Ilan Mitnikov, Costa, Allan dos Santos +17 · 8 citations
   Computer Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Algorithms and Data Compression #Protein Structure and Dynamics #Scientific Computing and Data Management
2. PANNA 2.0: Efficient neural network interatomic potentials and new architectures
   2023/05/19 by Franco Pellegrini, Ruggero Lot, Pellegrini, Franco +5 · 4 citations
   Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
3. Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
   2025/04/14 by Jesun Firoz, Firoz, Jesun, Franco Pellegrini +35 · 2 citations
   Computer Science · Materials Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Distributed #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning in Materials Science #Parallel #and Cluster Computing (cs.DC)
4. A fast summation method for the DFT-D3 dispersion correction
   2026/07/16 by Victoria Valeeva, Cheuk Hin Ho, Mario Geiger +4
   #physics.comp-ph