ModSim DCP 🇲🇫👩🏻‍💻⚗️

Almost at the end,Alia Benmoussa from Toulouse (CIRIMAT & Université de Toulouse) #JTMS2025

From Italy 🇮🇹, Guillaume Thiam works at Università degli Studi di Perugia in a new relativistic HF theory to describe polaritons:states that mix light-matter characters. #JTMS2025

Emeline Boyer from @icp-parissaclay.bsky.social presents her work modeling IR & Vibrational Circular Dichroism spectra to obtain microscopic information of molecules and ionic liquids. She's supervised by @carineclavaguera.bsky.social #JTMS2025

@nanoporous.net check our previous post,maybe you'll find other former students 😉

Describing large systems with DFT accuracy without increasing computational cost? That's the work of Laetitia Kantin at LBT @upcite.bsky.social,supervised by @elisedd.bsky.social #JTMS2025

Now,Jeswin Jiji from the laboratoire ICB of Université de Bourgogne #JTMS2025

Our last guest speaker, Aurélie Champagne from @icmcb.bsky.social showing the use of ML interatomic potentials to predict properties in solid electrolytes #JTMS2025

Thanks to all participants who came to @univbordeaux.bsky.social !🤩 #JTMS2025

From Belgium,Matteo Fornasarig @umons-universite.bsky.social showing new and interesting methodologies to study organic radical systems #JTMS2025

Emeline Sola showing her studies of ferrierite zeolite surfaces with ML approaches @univlorraine.bsky.social #IFP #JTMS2025

Thomas Boukeke,PhD student at @icp-parissaclay.bsky.social studies the effect of irradiation in biomolecules through simulations. #JTMS2025

Hari Sudhakar from Phenix @sorbonne-universite.fr on development of hybrid atomistic/coursed grained methods implemented in LAMMPS. #JTMS2025

To close the morning session of the 2nd day:Radhika Gupta postdoc at @univ-amu.fr #JTMS2025

Alicia da Piedade from @univeiffel.bsky.social is our first young speaker in the 2nd day. She works on the development of hybrid force fields. #JTMS2025

Starting the 2nd day with the plenary talk of Romain Vermorel from @universiteuppa.bsky.social @cnrs.fr studying the graphene membranes properties that impact their separation performance through simulations. #JTMS2025

Ça y est !
🗞️ Le nouveau numéro de l'Actualité Chimique est disponible pour nos lecteurs sur notre site internet : urlr.me/9jzZAN mais aussi dans vos boites aux lettres.

#compchem #machinelearning #quantumcomputing
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.

Peter Reinhardt & Julien Pilmé @lct-umr7616.bsky.social, Pascal Larregaray @univbordeaux.bsky.social,Bruno Senjean & Pauline Colinet @icgmmontpellier.bsky.social on the round table giving advice for MCF & @cnrs.fr recruitment procedures #JTMS2025

Poster session #JTMS2025

To close the day, Mathieu Gascoin from @iscr-rennes.bsky.social with spectra simulations for Yb-complexes #JTMS2025

Pierre Rouanet from CEISAM @univ-nantes.fr on the design of At-compounds for cancer treatment #JTMS2025

Raphaël Rullan from ENS Lyon showing TD-DFT calculations for minerals @cp2k.bsky.social

Bastien Courbière from @lct-umr7616.bsky.social about new (& faster!) functionalities in @topchem2.bsky.social y.social supervised by @jpilme.bsky.social #JTMS2025

Jérémy Morere from @univlorraine.bsky.social showing how to reduce 2nd quantization terms by applying Dyck language principles #JTMS2025

Our 2nd plenary speaker,Matthieu Saubanère from LOMA @univbordeaux.bsky.social @cnrs.fr presenting his work with Variational Quantum Subspace Method in Quantum Computers #JTMS2025

Conference room in a former church. Stained glass Windows

Probably the most beautiful conference room ever : we are in the church of a former convent. With amazing stained glasses 🤩

Invitation to send your abstract for the EuChemS Chemistry Congress before the end of the year by Peter Reinhardt from @lct-umr7616.bsky.social @euchems-histchem.bsky.social

To close the morning session,Roberto Tabacco from #UMET @univlille.bsky.social about the theoretical study of melting in nanoparticles

Raphaël Vangheluwe from @icp-parissaclay.bsky.social showing the use of ML ChIMES to study Bi-Pt nanoclusters

Joseph Alberola from LCPQ @ Toulouse,it's our first young speaker