PTEROSOR research group @LCPQ_UMR5626 @CNRS developing new excited-state methods with @quantum_package. Funded by @ERC_Research #H2020 #ercCoG
Toulouse, France
Joined November 2020
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PTEROSOR retweeted
The call for the first 2y postdoc position on this new project with a start by early 2026 (Jan/Feb) is now live:
efzu.fa.em2.oraclecloud.com/…
Please share & repost. Deadline is 14 Sept. Copenhagen is a truly wonderful place to live and we offer excellent terms of employment at DTU.
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/bevilli…
PTEROSOR retweeted
QUEST Database of Highly-Accurate Excitation Energies | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/acs… #compchem
Excited-state-specific Kohn–Sham formalism for the asymmetric Hubbard dimer pubs.aip.org/aip/jcp/article… #compchem
The 2nd workshop on emerging excited state methods is under way! Thank you all for traveling to Toulouse. #compchem
lcpq.github.io/PTEROSOR_endo…
Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation pubs.aip.org/aip/jcp/article… #compchem
New @pterosor research
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
PTEROSOR retweeted
🦖Antoine's new paper on the particle-particle sector of the Bethe-Salpeter equation to target double IPs and EAs. 🦖Found to be almost as good as DIP-EOM-CCSD with a reduced cost! 🎇Collaboration with Pina Romaniello and Xavier Blase! @LCPQ_UMR5626 @pterosor #compchem
[2411.13167] Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation #compchem arxiv.org/abs/2411.13167
PTEROSOR retweeted
New Dr alert!‼️ Yann Damour has successfully defended his PhD and is now Dr Damour… Congratulations Yann! 🎉🥳🍾🎊🥂@LCPQ_UMR5626 @pterosor
PTEROSOR retweeted
Antoine Marie from the @pterosor group @LCPQ_UMR5626 has recently presented his work on anomalous propagators at the Dept of @ChemCambridge. Thank you @HughGABurton for hosting us! #compchem
New @pterosor research!
[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!
PTEROSOR retweeted
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. sncs.fr/2024/03/05/concours-…
New @pterosor research!
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
New @pterosor research!
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 @pterosor research!
New @pterosor research!
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 @pterosor research !
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
New @pterosor research!
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
PTEROSOR retweeted
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
[2312.12530] Rationale for the Extrapolation Procedure in Selected Configuration Interaction #compchem arxiv.org/abs/2312.12530
