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 nvidia.com/gtc/session-catalog

Something to keep in mind.
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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.


twitter.com/NobelPrize/status/

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 : nvidia.com/gtc/session-catalog

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! euchems-compchem.eu/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 doi.org/10.1002/wcms.1664

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 !!! pubs.acs.org/doi/10.1021/acs.j

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 !!!
pubs.acs.org/doi/10.1021/acs.j

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.

pubs.rsc.org/en/content/articl

RT @ampendas
Finally out! It was worth the effort. A textbook for advanced undergrads and masters students within the @EM_TCCM initiative. bit.ly/3IsUGjZ

Good read: EPISOL: A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules doi.org/10.1002/jcc.27088

Good read: Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties? doi.org/10.1021/acs.jctc.2c012

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. doi.org/10.1021/acs.jctc.2c012

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
@PierPoier@twitter.com
doi.org/10.1021/acs.jpclett.2c

RT @JCIM_JCTC@twitter.com

The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry
pubs.acs.org/doi/10.1021/acs.j

🐦🔗: twitter.com/JCIM_JCTC/status/1

RT @simonbatzner@twitter.com

Impressive ML potential by @jppiquem@twitter.com + 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?

arxiv.org/abs/2301.08734

🐦🔗: twitter.com/simonbatzner/statu

🚨🚨:Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties & long-range effects. Great work by @Thomas__Ple@twitter.com introducing the hybrid physically-driven FENNIX model. Funded by the ERC (project EMC2). Supercomputer time by GENCI. arxiv.org/abs/2301.08734

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