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Laboratoire de Chimie Théorique

Logiciels developpés au LCT

CHAMP

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Tinker

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Logiciels LCT

#LCT_UMR7616

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Laboratoire de Chimie Théorique
LCT_UMR7616Laboratoire de Chimie Théorique@LCT_UMR7616·
14 Oct

#compchem Selected as PCCP hot paper : Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory. @timgould_scienc and Julien Toulouse https://t.co/Bfk5hjpNjN

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Emc2ErcERC_EMC2@Emc2Erc·
7 Oct

October 7-9 2019 : Kickoff meeting of the EMC2 ERC Synergy projet @ERC_Research @SciSq @Sorbonne_Univ_ @EcoledesPonts @Inria #compchem #HPC #math #AI https://t.co/NfuNtWOIyS

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jppiquemJean-Philip Piquemal@jppiquem·
1 Oct

#compchem #HPC Just out @livecomsj : Raising the Performance of the Tinker-HP Molecular Modeling Package [Article v1.0]. Improved algorithmics & AVX512 vectorization on the Joliot-Curie @Genci_fr machine. Nice collaboration with @intelhpc !!! https://t.co/j46U5wZlwv

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LCT_UMR7616Laboratoire de Chimie Théorique@LCT_UMR7616·
27 Sep

Meet the Women of Catalysis (ChemCatChem 2019). Hélène Gérard is among the women highlighted by this journal for their research. https://t.co/pbJNMNesG8

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jppiquemJean-Philip Piquemal@jppiquem·
27 Sep

#compchem Molecular Dynamics using Non-variational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation & Application to the Bond Capacity Model. Nice collaboration with Frank Jensen & HPC implementation in Tinker-HP @TINKERtoolsMD https://t.co/IFTP9EaGx4

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  • Laboratoire de Chimie Théorique, Sorbonne Université, Site Jussieu, Barre 12-13 4ième étage, 4 place Jussieu, 75052 Paris cedex. Tél.: +33 1 44 27 38 44