PTEROSOR

PTEROSOR research group @LCPQ_UMR5626 @CNRS developing new excited-state methods with @quantum_package. Funded by @ERC_Research #H2020 #ercCoG

[Janus Juul Eriksen @JanusEriksen]

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.

[Pierre-Francois Loos @TitouLoos]

QUEST Database of Highly-Accurate Excitation Energies | Journal of Chemical Theory and Computation https://t.co/VJqnkRkNBq #compchem

[PTEROSOR @pterosor]

New @pterosor research #compchem

[Pierre-Francois Loos @TitouLoos]

Excited-state-specific Kohn–Sham formalism for the asymmetric Hubbard dimer https://t.co/rJO73xKwoV #compchem

[PTEROSOR @pterosor]

The 2nd workshop on emerging excited state methods is under way! Thank you all for traveling to Toulouse. #compchem

https://t.co/OPswA6u80D

[PTEROSOR @pterosor]

New @pterosor research! #compchem

[Pierre-Francois Loos @TitouLoos]

Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation https://t.co/PiOKqonBGm #compchem

[PTEROSOR @pterosor]

New @pterosor research

[Pierre-Francois Loos @TitouLoos]

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

[Pierre-Francois Loos @TitouLoos]

🦖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

[Pierre-Francois Loos @TitouLoos]

New Dr alert!‼️ Yann Damour has successfully defended his PhD and is now Dr Damour… Congratulations Yann! 🎉🥳🍾🎊🥂@LCPQ_UMR5626 @pterosor

[Pierre-Francois Loos @TitouLoos]

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

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

[2406.07062] Anomalous propagators and the particle-particle channel: Hedin's equations #compchem https://t.co/FKfTtmF38w

[PTEROSOR @pterosor]

Well done @trex_eu ! #compchem

[TREX-EU @trex_eu]

👏 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!

[Pierre-Francois Loos @TitouLoos]

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. https://t.co/9u3wZNJpB7

[PTEROSOR @pterosor]

New @pterosor research

[Quantum Package @quantum_package]

Implemented in @quantum_package !!

[PTEROSOR @pterosor]

@FKossoski from the @pterosor group ranked 1st in Section 13 ! Congratulations Fabris! 👏🏼👏🏼👏🏼👏🏼🎉🥳🙌🍾🥂

[Pierre-Francois Loos @TitouLoos]

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. https://t.co/9u3wZNJpB7

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

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

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

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

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

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.

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

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

[PTEROSOR @pterosor]

New @pterosor research !

[Pierre-Francois Loos @TitouLoos]

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

[PTEROSOR @pterosor]

New @pterosor research!

[Pierre-Francois Loos @TitouLoos]

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