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piquemalresearch.compiquemalresearch.com
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  • Research & Softwares
  • Publications
  • Collaborators and Friends
  • Present Group, Visitors and Alumni
  • Contact

March 2025

Histidine 73 methylation coordinates beta-actin plasticity in response to key environmental factors.

2 months agoJean-Philip Piquemalnews

Check our new paper in Nature Communications: Histidine 73 methylation coordinates beta-actin plasticity in response to key environmental factors. A. Schahl, L. Lagardère, B. Walker, P. Ren, A. Jégoud, M....

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Velocity Jumps for Molecular Dynamics

2 months ago 2 months agoJean-Philip Piquemalnews

Check our new paper in the Journal of Chemical Theory and Computation: Velocity Jumps for Molecular Dynamics . N. Gouraud, L. Lagardère, O. Adjoua, T. Plé, P. Monmarché, J-P. Piquemal,...

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Non-Iterative Disentangled Unitary Coupled-Cluster based on Lie-algebraic structure.

2 months agoJean-Philip Piquemalnews

Check our new paper in Quantum Science and Technology, : Non-Iterative Disentangled Unitary Coupled-Cluster based on Lie-algebraic structure. M. Haidar, O. Adjoua, S. Baddredine, A. Peruzzo, J.-P. Piquemal, Quantum Sci. Technol., 2025, 10, 025031  [HAL][ArXiv]...

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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