Marc de Wergifosse

Assistant professor, head of @TCG_UCLouvain
IMCN
UCLouvain

[Marc de Wergifosse @mdewergi]

Happy to share that I have been definitively appointed assistant professor after 4 years of probation. Many thanks to all my folks and their ongoing excellent work in my group at UCLouvain @TCG_UCLouvain

[Marc de Wergifosse @mdewergi]

https://t.co/UpP896VqBV

[Marc de Wergifosse @mdewergi]

Mon EP sur les platforms, un besoin d’écrire pour mettre de la musique en poésie, de la poésie en musique, des émotions, parce que la vie le demande. Plus de lumière avec Mon Golem

https://t.co/9BifRdzpG1

[Marc de Wergifosse @mdewergi]

Excellent collaboration with the group of Frédéric Castet using simplified quantum chemistry methods with our marvelous ≡(s|td)2 program! Great work Matt Hugget !
https://t.co/2Jfjp75h0G

[Marc de Wergifosse @mdewergi]

Pushing boundaries of quantum chemistry with our XsTD-DFT method, here to compute core-valence excited states, showing striking comparisons with respect to experiment | The Journal of Physical Chemistry Letters https://t.co/hBBia78Kgz

[Marc de Wergifosse @mdewergi]

Congratulations to Dr Sarah Löffelsender for her terrific thesis defense last week at UniBonn! So happy to be part of your comity and to partly guide you for so many years. I am so proud of you!

Check out our two contributions:
https://t.co/axGnN6VNgS
https://t.co/pCps4NQZAU

[TCG@UCLouvain @TCG_UCLouvain]

Congratulations to Marilù Grace Maraldi @marilu_grace for her first first author paper for the special issue “Forty Years of Response Function Theory” of the Journal of Physical Chemistry A
https://t.co/AR04UN5JzG

[Chemistry Europe @ChemEurope]

#ChemPhysChem #OnTheCover All-Atom Quantum Mechanical Methodologies for One- and Two-Photon Absorption of Realistic Systems (Marc de Wergifosse and co-workers) https://t.co/MTPx3MA12v @TCG_UCLouvain @mdewergi @marilu_grace • https://t.co/gkkT1Xd7Zu

[Chemistry Europe @ChemEurope]

#ChemPhysChem All-atom QM methodologies for evaluating 1- & 2PA for realistic systems: proteins and explicitly solvated chromophores with dynamic structural effects. @TCG_UCLouvain @mdewergi @marilu_grace • https://t.co/MTPx3MA12v

[Marc de Wergifosse @mdewergi]

Sarah’s marvelous on All-atom quantum mechanics methodology to treat realistic systems is now published in ChemPhysChem @TCG_UCLouvain
https://t.co/pCps4NQrLm

[Marc de Wergifosse @mdewergi]

A strong and bold acceptance letter from my former boss, Prof. Anna Krylov who was elected at the American Academy of Arts and Sciences. Congratulations Anna! Keep fighting for our academic freedom!
https://t.co/FkB8NhkWg4

[Marc de Wergifosse @mdewergi]

Today presenting at our Quantum Horizons joint seminars between UNamur’s LCT and UCLouvain’s TCG about the RespA approach and Natural Response Orbitals see https://t.co/vsrlmvmT7w

[Marc de Wergifosse @mdewergi]

The semester only starts well by separating the time-dependent Schrödinger equation 😁

[TCG@UCLouvain @TCG_UCLouvain]

Congratulations to @marilu_grace, my PhD student who was awarded the best oral presentation at the doctoral school EDT CHIM at UNamur

[Marc de Wergifosse @mdewergi]

🚀Glad to announce that the new version of the std2 program is finally out including both XsTDA and XsTD-DFT methods.@TCG_UCLouvain @GrimmeLab The stda program has also been rebranded std2. See it on GitHub: https://t.co/WDgmyb12AX

[TCG@UCLouvain @TCG_UCLouvain]

Check out our new contribution with the XsTD-DFT method using range-separated hybrid functionals and its first application on very large systems including PYP.
Yes, you need an all-atom methodology to correctly reproduce 1PA and CD spectra of PYP!
https://t.co/BIeDjQ5zFV

[TCG@UCLouvain @TCG_UCLouvain]

Check out our WIREs cover for “Simplified quantum chemistry methods to evaluate non-linear optical properties of large systems”
https://t.co/GpZbKarpOS

[TCG@UCLouvain @TCG_UCLouvain]

Congratulations to Marilù Maraldi @marilu_grace to complet her half-step thesis with great success! Great deeds ahead!

[Cheol Ho Choi’s Group @ChChoi]

Introducing OpenQP (https://t.co/JfDwRrwbYI): a pioneering platform for quantum chemical collaboration, featuring the innovative MRSF-TDDFT. A huge thank you to Vladimir, @constlik, Igor, @Jingbai_Li, and everyone else for their tremendous efforts!

[TCG@UCLouvain @TCG_UCLouvain]

Congratulations to Dr. Veronica for winning the best poster award at DFT conference in Paris! We are proud of you !
Title: "Benchmarking study of the (X)sTD-DFT methods to compute first hyperpolarizabilities"
#DFT2024