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Recent Posts

  • VTX: Real-time high-performance molecular structure and dynamics visualization software.
  • Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals .
  • A Foundation Model for Accurate Atomistic Simulations in Drug Design
  • Machine Learning for Computational Chemistry
  • Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations

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    Jean-Philip Piquemal - Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS, CC137, 4 Place Jussieu, Tour 12-13, 4ème étage, 75252 Paris Cedex 05, France. E-mail: jean-philip.piquemal at sorbonne-universite.fr Tel : (+33) 1.44.27.25.04