Jean-Philip Piquemal

2 years ago 3 months agoJean-Philip Piquemalnews

Check our new paper in JCTC: Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning Potentials. T. Plé, N. Mauger, O. Adjoua,T. Jaffrelot-Inizan, L. Lagardère, S. Huppert, J.-P. Piquemal, J....

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Job offers

6 years ago 2 years agoJean-Philip Piquemalnews

Applications are invited from interested post-doctoral researchers and master students HPC Engineer (GPUs) [08/2022] Post-doctoral researcher [08/2022], please contact me.

Tinker-HP, the massively parallel version of Tinker

7 years ago 12 months agoJean-Philip PiquemalSoftwaresTinker-HP

Tinker-HP is a massively MPI parallel package (multi-CPUs & multi-GPUs) dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles...

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