PTEROSOR
@pterosor
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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
The call for the first 2y postdoc position on this new project with a start by early 2026 (Jan/Feb) is now live: https://t.co/itjCfMVqcj Please share & repost. Deadline is 14 Sept. Copenhagen is a truly wonderful place to live and we offer excellent terms of employment at DTU.
efzu.fa.em2.oraclecloud.com
Postdoctoral position within a new long-term project funded by the Novo Nordisk Foundation concerned with the development of novel computational methods for simulating chemical properties inherent to...
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. https://t.co/gHmB49vqOG
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QUEST Database of Highly-Accurate Excitation Energies | Journal of Chemical Theory and Computation https://t.co/VJqnkRkNBq
#compchem
pubs.acs.org
We report theoretical best estimates of vertical transition energies (VTEs) for a large number of excited states and molecules: the quest database. This database includes 1489 aug-cc-pVTZ VTEs (731...
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Excited-state-specific Kohn–Sham formalism for the asymmetric Hubbard dimer https://t.co/rJO73xKwoV
#compchem
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The 2nd workshop on emerging excited state methods is under way! Thank you all for traveling to Toulouse. #compchem
https://t.co/OPswA6u80D
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Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation https://t.co/PiOKqonBGm
#compchem
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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
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🦖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
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New Dr alert!‼️ Yann Damour has successfully defended his PhD and is now Dr Damour… Congratulations Yann! 🎉🥳🍾🎊🥂@LCPQ_UMR5626 @pterosor
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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
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👏 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!
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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
Le SNCS-FSU s'engage à publier les classements d'admissibilité des concours chercheur·euses CNRS 2023.
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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
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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
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New @pterosor research!
Satellites in charged excitations are the equivalent of double excitations in the realm of neutral excited states. In short, they are really really hard to describe properly... Monster new work by 2nd-year PhD student Antoine Marie.
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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
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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
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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
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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
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