Jean-Philip Piquemal

Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

2 months ago 2 months agoJean-Philip PiquemalnewsOverlap-ADAPT-VQE

Check our new paper in Communications Physics : Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansätze C. Feniou, M. Hassan, D. Traoré, E. Giner, Y. Maday, J.-P. Piquemal, Commun. Phys., 2023, 6, 192 (Open...

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Job offers

5 years ago 1 year 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

5 years ago 11 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 electrostatics,...

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