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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.

Good read: Machine Learning Assisted Simulations of Electrochemical Interfaces: Recent Progress and Challenges

RT @qubit_pharma
New : TREXIO: A File Format and Library for Quantum Chemistry. Great work by @EPosenitskiy !

RT @JoeMorrow3594
Just accepted in JCP! Excited to share our article: a tutorial-style guide for testing ML potentials, with ideas for chemistry-inspired validation and pitfalls to avoid with error evaluation

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

RT @science_dot
Some of you know that MPI does not have a standard ABI and this is annoying. We are working on this for MPI-5 (

In order to understand MPI-5 ABI design, I wrote an ABI compatibility layer called Mukautuva (,

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.

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