PTEROSOR

Very excited to announce that I’ve been awarded a research grant from the @novonordiskfond of 10M DKK (1.34M EUR) under the New Exploratory Research and Discovery (NERD) programme to work on a new 5y electronic-structure project beginning by early-2026. novonordiskfonden.dk/bevillingslist…

Excited-state-specific Kohn–Sham formalism for the asymmetric Hubbard dimer pubs.aip.org/aip/jcp/articl… #compchem

Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation pubs.aip.org/aip/jcp/articl… #compchem

Latest work with @SaraGiarr on the applicability of the KS formalism to the excited states of the Hubbard dimer (state specific!). Analytic continuation of adiabatic path shows that 1st excited state may be regarded as complex-v-representable! @pterosor @LCPQ_UMR5626 #compchem

[2411.13167] Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation #compchem arxiv.org/abs/2411.13167

[2406.07062] Anomalous propagators and the particle-particle channel: Hedin's equations #compchem arxiv.org/abs/2406.07062

👏 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!

Implemented in @quantum_package !!

Giga mega good news 🚨 : our one and only @FKossoski from @LCPQ_UMR5626 and @pterosor group is ranked 1st for @cnrs positions (section 13) !!! Congratulations Fabris 🎉🥳🎊🍾🥂Hard work always pays off. #S13" target="_blank" rel="nofollow noopener">sncs.fr/2024/03/05/con…

Latest contribution on doubly-excited states in collaboration with @FKossoski, Martial Boggio-Pasqua & Denis Jacquemin. Significant improvements and extensions compared to our previous paper in @JCIM_JCTC 10.1021/acs.jctc.8b01205. #compchem @LCPQ_UMR5626 @CeisamLab @pterosor

Collaborative paper with Antoine Marie and Abdallah Ammar for the upcoming Faraday discussion in London (July) where we investigate the performance of the cumulant expansion of the Green's function for molecules @LCPQ_UMR5626 @pterosor @trex_eu #compchem

New preprint on @arXiv today... First time we actually look into the energy consumption of SCI calculations... Quite interesting alternative if one wants to reach FCI accuracy for a few kWh... Thank you to @UMS_CALMIP for the CPU hours! #compchem @pterosor @trex_eu @LCPQ_UMR5626

New paper investigating how good is GW for multi reference systems. Tough problem... Thank you Abdallah Ammar, Antoine Marie, @mau_rod_may, @HughGABurton #compchem @pterosor @LCPQ_UMR5626 @ChemCambridge

Thanks to @HughGABurton energy landscape approach, we were able to justify the usual linear extrapolation procedure in selected CI methods and propose a *new* non-linear extrapolation formula. Maths are neat and simple. #compchem @ChemCambridge @LCPQ_UMR5626 @pterosor