ModSim DCP 🇲🇫👩🏻💻⚗️
@modsim.bsky.social
Compte de la subdivision Modélisation et Simulation de la Division Chimie Physique, commune à @reseauscf.bsky.social & @sfp-physique.bsky.social
Pinned
Thanks to all participants who came to @univbordeaux.bsky.social !🤩 #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
November 5, 2025 at 3:24 PM
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
November 5, 2025 at 3:07 PM
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
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
November 5, 2025 at 2:16 PM
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
Our last guest speaker, Aurélie Champagne from @icmcb.bsky.social showing the use of ML interatomic potentials to predict properties in solid electrolytes #JTMS2025
November 5, 2025 at 1:52 PM
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
November 5, 2025 at 11:39 AM
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
November 5, 2025 at 11:35 AM
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
November 5, 2025 at 11:05 AM
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
November 5, 2025 at 10:46 AM
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
November 5, 2025 at 10:21 AM
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
November 5, 2025 at 9:59 AM
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
November 5, 2025 at 9:14 AM
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
November 5, 2025 at 8:49 AM
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
Reposted by ModSim DCP 🇲🇫👩🏻💻⚗️
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.
🗞️ 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.
October 23, 2025 at 10:18 AM
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.
🗞️ 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.
Reposted by ModSim DCP 🇲🇫👩🏻💻⚗️
#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.
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.
October 29, 2025 at 6:51 AM
#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.
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
November 4, 2025 at 5:43 PM
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
To close the day, Mathieu Gascoin from @iscr-rennes.bsky.social with spectra simulations for Yb-complexes #JTMS2025
November 4, 2025 at 3:45 PM
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
November 4, 2025 at 3:27 PM
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
November 4, 2025 at 3:08 PM
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
November 4, 2025 at 2:13 PM
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
November 4, 2025 at 1:58 PM
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
November 4, 2025 at 1:31 PM
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
Reposted by ModSim DCP 🇲🇫👩🏻💻⚗️
Probably the most beautiful conference room ever : we are in the church of a former convent. With amazing stained glasses 🤩
November 4, 2025 at 1:09 PM
Probably the most beautiful conference room ever : we are in the church of a former convent. With amazing stained glasses 🤩