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
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
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
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
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
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
#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
#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
Sarah’s marvelous on All-atom quantum mechanics methodology to treat realistic systems is now published in ChemPhysChem @TCG_UCLouvain
https://t.co/pCps4NQrLm
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
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
🚀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
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
Check out our WIREs cover for “Simplified quantum chemistry methods to evaluate non-linear optical properties of large systems”
https://t.co/GpZbKarpOS
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!
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