🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

#VistaTalk dedicated to the late Prof. Tao Yu (North Dakota) Speakers: •George Schatz (Northwestern Univ) •Mohammed Jabed (Univ North Dakota) •David Lingerfelt (Oak Ridge Nat Lab) Wed 28/07, 9:30 New York | 15:30 Paris | 21:30 Beijing quantum-dynamics-hub.github.io/VISTA #CompChem

Awesome write-up by Kat! Thanks for the opportunity to be a part of this story 🤩 The search for the grand unification of aromaticity | Feature | Chemistry World: chemistryworld.com/features/the-s…

Next week, Sept. 23, Henrik Ottosson Henrik Ottosson (prefer Bluesky) Department of Chemistry - Ångström @UU_University is giving an online talk on Excited State Aromaticity at the first seminar in a series arranged by IQCC UdG called IQCC Challenges – Live talks. Check it out! #aromaticity

Referee report on a BoostCrop paper led by Team Stavros: "The study is a fine representation of what I have been expecting from the photodynamics community for many years. (...) I am impressed by the connection between chemical physics, synthesis, toxicology, and #compchem."🎇

In our latest #ChemSciPicks, phenolic-based barbituric absorbers of UV radiation are prepared, which show promising light-to-heat conversion capabilities and could be useful as molecular heaters for agriculture BoostCrop URD ABI Mario Barbatti 👉 ow.ly/qiLa50GK7y4

A new generation of molecular heaters is out! Amazing work led by Team Stavros, putting together synthesis, spectroscopy, #CompChem, and toxicology. Thanks, Oluwatosin, Josene Toldo, ., URD ABI, and BoostCrop

It's my pleasure to announce that Newton-X 2.4 is out. It contains many new developments, including: * Couplings without wavefunctions * FSSH on complex surfaces * Interface to MLAtom It has also templates to quickly build new interfaces. newtonx.org #CompChem

Finally our new manuscript on the photochemistry of xanthone is out. Great work by Marc Alías Rodríguez. Check it out:“Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics” pubs.acs.org/doi/10.1021/ja…

You did a great job Marc Alías Rodríguez ! Congrats!

Our group in Marseille, France, is looking for candidates for an interdisciplinary PhD thesis on quantum chemistry (excited state QM/MM) and transport theory (non-equilibrium Green's function) applied to biotech. Contact me for more info. #compchem

SMLQC talk & tutorial by Max Pinheiro Jr on ULaMDyn package for unsupervised learning of nonadiabatic dynamics is scheduled for February 16, 2023: smlqc.mlatom.com/smlqc-seminar-… About #SMLQC seminars: smlqc.mlatom.com/smlqc-seminars/ #mlchem #compchem

We're excited to celebrate the International Day of Women and Girls in Science with a Collection of Communications Chemistry articles showcasing excellent research conducted by women in chemistry. nature.com/collections/wo…

A new #OpenAccess Perspective from Mario Barbatti . and Josene Toldo out now in PCCP! 🔓 An active environment changes the photophysics of an excited chromophore. Surface hopping is crucial to understanding how. Read the open access article here 🔗 doi.org/10.1039/D3CP00…

Hello LatinXChem! I'm Josene Toldo, post-doctoral researcher in Mario Barbatti group at @univamu working with computational photochemistry. I am honoured to join the #LatinXChem23 as a judge in the #LatinXChemComp section. Do not forget to register your poster by 30th September!

Why does the excited-state lifetime of adenosine depend on temperature, but that of adenine doesn't? Check the answer in our most recent @pccp. #compchem by Ritam, Josene Toldo, Saikat Mukherjee, Max Pinheiro Jr barbatti.org/2023/09/23/tem…

The conical intersection shape can slow down internal conversion by a factor of 10. That's what the experiments by Team Stavros and Josene Toldo's simulations discovered in sinapate esters. barbatti.org/2023/09/23/pho…

📢📢📢We are hiring: we are looking for a postdoctoral researcher to work in the field of computational/theoretical photochemistry (1 year + 1 extra year upon mutual agreement). DM for details. Please retweet! Thanks #compchem #postdocposition

After hopping, velocity must be rescaled. How do we do that if NAC vectors aren't available? Josene Toldo, Rafael, Max Pinheiro Jr, Saikat Mukherjee, and I explain that in this new JCTC. #comchem doi.org/10.1021/acs.jc…

I am happy to be part of 2024 LatinXChem as a judge in the #LatinXChemComp category. For more info, please follow LatinXChem. Don't forget to register and send your abstract. See you all here on X on Oct 14-15. #LatinXChem #compchem

Honored to share that I’m now Assistant Professor at Université Lyon 1 LabChimieEnsl ! I’m incredibly glad for this opportunity and grateful to everyone who helped make this happen. Excited for this new chapter!