Join me today at the @nvidia . I will present some our group join efforts with @qubit_pharma to develop the HYPERION QC simulator: "How Short-Term Hybrid - can Accelerate " [S51584], Mar 22 3:00 PM CET

Something to keep in mind.
RT @NobelPrize
Despite his teacher’s opinion that he couldn’t learn simple biology, John Gurdon went on to receive a , thanks to his classic frog experiment, which showed that the DNA of mature frog cells has all the information needed to develop all cells in its body.

RT @qubit_pharma
🧐 Wondering how can impact on the near term?
🤩 Look no further! Don't miss Jean-Philip Piquemal (@jppiquem)'s talk at @nvidia on wednesday march 22nd 3:00 - 3:25PM CET!
👉 click here to register :

RT @zoecournia
The European Conference on Computational and Theoretical Chemistry, organized by @EuChemS will take place in Thessaloniki, Greece, 27-31 August 2023. Looking forward to receiving your abstracts!
Early bird registration 15 April.

Just out @ WIRES Comp Mol Sci and : Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry. Great work by M. Haidar & nice collab. with M. J. Rančić, Y. Maday

Happy to see that Thomas Plé's beautiful artwork for the Quantum-HP nuclear quantum effects simulation platform made it to the JCTC (back) COVER !!!

RT @jppiquem
Happy to see that @Thomas__Ple's beautiful artwork for the Quantum-HP nuclear quantum effects simulation platform made it to the JCTC (back) COVER @JCIM_JCTC !!!

RT @juanjnogueira
📢Happy to share the last paper by Vito published in @PCCP on the formation of charge transfer states between photoswitches and ion channels.

RT @ampendas
Finally out! It was worth the effort. A textbook for advanced undergrads and masters students within the @EM_TCCM initiative.

Good read: EPISOL: A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules

Good read: Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?

Paper alert 🚨in JCTC : Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials. Great work by
Thomas Plé introducing the Quantum-HP platform, part of Tinker-HP.

Just out in
( ) : Generalized Many-Body Dispersion Correction through Random-phase Approximation for Chemically Accurate DFT. Introducing the DNN-MBDQ model including quadrupole corrections. Great work by


The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry



Impressive ML potential by + team building on Allegro. Trained on DES370K, ANI-1ccx, and water, it strongly outperforms ANI.

Remarkable how well it does dissocations + bulk water despite never having seen condensed phase?


🚨🚨:Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties & long-range effects. Great work by introducing the hybrid physically-driven FENNIX model. Funded by the ERC (project EMC2). Supercomputer time by GENCI.

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