A quelques jours de la COP27 (6-18 Nov) les scientifiques du CNRS 🌍 apporte leur éclairage sur le changement climatique cnrs.fr/fr/le-climat-e… Conférence de presse en ligne le Jeudi 27 Oct 22 à 13h. L'inscription est gratuite mais obligatoire @INSU_CNRS @INEE_CNRS @INSHS_CNRS

New #preprint from Fábris Kossoski today on arXiv presenting a new systematically improvable route for excited-state calculations ⚡️state-specific CI 🌩️ #compchem #theochem PTEROSOR Laboratoire de Chimie et Physique Quantiques Quantum Package

Does chemistry need more physics? This Featured article by Sunaga, Salman, & Saue considers the effect of quantum #electrodynamics (#QED) on the structure and reactivity of molecules. Laboratoire de Chimie et Physique Quantiques aippub.org/3tff1SI

Our latest developments on the computation of dipole and transition moments in selected CI is now published and implemented in Quantum Package ! Well done Yann! PTEROSOR Laboratoire de Chimie et Physique Quantiques @CeisamLab Scemama Anthony Michel Caffarel Fábris Kossoski

Tiens un futur cœur de cluster du ⁦Laboratoire de Chimie et Physique Quantiques⁩ 🤓

[2302.14793] TREXIO: A File Format and Library for Quantum Chemistry #compchem arxiv.org/abs/2302.14793

Great work from the Dixon lab Laboratoire de Chimie et Physique Quantiques in Toulouse on computational photophysics of Fe(III) cyclometalated complexes. Some lovely stuff on Earth abundant metal complexes and their photophysical properties coming out at the moment 🙂 pubs.acs.org/doi/10.1021/ac…

New PTEROSOR research #compchem #theochem Laboratoire de Chimie et Physique Quantiques

Fábris Kossoski 💪 Laboratoire de Chimie et Physique Quantiques 🤞

PTEROSOR group member Fábris Kossoski from Laboratoire de Chimie et Physique Quantiques has been selected for the CNRS 🌍 interview in Section 13 and 55! Good luck Fábris Kossoski 🤞! Fabris’ research 👉 scholar.google.com/citations?user… #compchem

Selective adsorption of sulphur dioxide and hydrogen sulphide by metal–organic frameworks - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art…

4-component relativistic Hamiltonian with effective QED potentials for molecular calculations pubs.aip.org/aip/jcp/articl…

Ce matin, départ de l'inauguration du bâtiment Réorganisation de la physique #RPHY par le président de l'UT3 Jean-Marc Broto, en présence de Béjean Sophie Académie Montpellier

Ce bâtiment accueille également les bureaux de la fédération de recherche FeRMI Fédération FeRMI Cette fédération regroupe six laboratoires de Toulouse en #physique et #chimie fondamentales. CEMES-CNRS #LCAR Laboratoire de Chimie et Physique Quantiques #LNCMIT Laboratoire de Physique et Chimie des Nano-Objets #LPT

New #preprint describing #qcmath (github.com/LCPQ/qcmath), a Mathematica-based software for electronic structure specifically designed for students and newcomers in quantum chemistry. Slow to compute but easy to code! PTEROSOR Laboratoire de Chimie et Physique Quantiques

Curious about how the electron-hole T-matrix self-energy can be derived and how it compares with GW and the particle-particle T-matrix? This is for you! 👇 #compchem Laboratoire de Chimie et Physique Quantiques PTEROSOR

#OnTheCover: Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas onlinelibrary.wiley.com/doi/10.1002/cp… VŠB – Technická univerzita Ostrava IT4Innovations UT3 Paul Sabatier Laboratoire de Chimie et Physique Quantiques LAPLACE Toulouse Leininger Thierry onlinelibrary.wiley.com/doi/10.1002/cp…

Giga mega good news 🚨 : our one and only Fábris Kossoski from Laboratoire de Chimie et Physique Quantiques and PTEROSOR group is ranked 1st for @cnrs positions (section 13) !!! Congratulations Fabris 🎉🥳🎊🍾🥂Hard work always pays off. sncs.fr/2024/03/05/con…

✍️ 2.5y postdoc position available in my group at DTU in the greater Copenhagen area 🇩🇰: efzu.fa.em2.oraclecloud.com/hcmUI/Candidat… Please reach out via email if you require more info than what's provided in the call. Please note the short deadline (June 4th). RTs much appreciated.

👏 Celebrating our remarkable #TREX journey in revolutionising #QuantumMonteCarlo software for #HPC exascale #chemistry applications! Proud to develop cutting-edge #QMC #flagshipCodes to push the boundaries of #innovation🚀 A big thank you for your invaluable #collaboration!