Alexey Akimov

4/N I'm really grateful to the NSF for funding it, and I'm sure many students will be happy to participate in these exciting workshops and summer schools!

3/N Students from the US and abroad will learn some practical skills in setting up, running, and understanding such calculations and will use the modern software solutions for such studies. So, stay tuned for the upcoming calls for applications.

1/N It has been a while since I knew about it, but it took this paper buffalo.edu/ubnow/stories/… and a few emails from colleagues, for me to start believing this grant was successful and is awarded.

My FSSH-3 paper has finally been published: here is the link to the first 50 free copies of the paper: tandfonline.com/eprint/Z2A8YNU… In memory and honor of my Alma-Mater's adviser, Prof. Alexander Nemukhin

Look what i found in Indianapolis @Watsonlab_UB

@MarioBarbatti @mrncasal @RitamMansour Cool idea to put those on Zenodo,@MarioBarbatti

Two of my PhD candidates---Mariana Casal (@mrncasal) and Ritam Mansour (@RitamMansour)---defended their thesis last fall. I'm posting the links for their texts next. #CompChem

#VISTAtalks, Wed, 14 Dec 10:00 / 15:00 GMT/ 16:00 Paris / 23:00 Beijing * Elisa Pieri (@EliPieri90, Stanford): Can we describe photochemistry without nonadiabatic dyn? * Mariana Casal (@mrncasal, Leuven): Classification of doubly excited states quantum-dynamics-hub.github.io/VISTA/ #CompChem

Congratulations to Mohammad Shakiba @MohammadSh_1995 from the Akimov Lab @AkimovLab on being selected our #Graduate Student #Research highlight for November 2022! (1/3) arts-sciences.buffalo.edu/chemistry/grad…

#VISTAtalks Wed, 30 Nov 10:00 EST / 15:00 GMT/ 16:00 Paris / 23:00 Beijing * Marcos E. G. da Luz (BR): Piece-wise time-independent method for tracking quantum control * Manas Sharma (DE): DFT for periodic systems using Gaussian functions quantum-dynamics-hub.github.io/VISTA/ #CompChem

Ever considered joining @UBChemistry #graduate school? Have some questions abou @AkimovLab or any other lab? Mark your calendar for this event, where you can learn more about the department and ask our faculty your questions.

#HighlightOfTheWeek Highest occupied molecular orbitals (HOMOs) in silicon nanocrystals. Work by @MohammadSh_1995 @AkimovLab. #compchem pubs.acs.org/doi/10.1021/ac…

@ManasSharma07 @MarioBarbatti Thank you @ManasSharma07 for letting us know about it. I'll look into it and hopefully fix shortly

@MarioBarbatti Thanks for organizing these talks! I have just submitted an abstract through the form, however, I found that one could not enter the website in the form as it expected an email address instead. (See screenshot)

#VISTAtalks Wed, Oct 5, 10:00 EDT / 15:00 BST / 16:00 Paris Michele Pavanello (Rutgers University-Newark, USA) Cracking Challenging Electronic Structures: Embedding, machine learning and orbital-free DFT are the key quantum-dynamics-hub.github.io/VISTA/ #CompChem

@MarioBarbatti Thank you @MarioBarbatti , looks like this field expects an email address, although the title asks for the website address. I'll double check it

@AkimovLab, could you take a look? It may be some bug in the Vista website.

Learn a language with me for free! Duolingo is fun, and proven to work. Here’s my invite link: invite.duolingo.com/BDHTZTB5CWWKS5…

The last day of the @NSF #CyberTraining #summerschool @UBChemistry on #excitedstate and #nonadiabatic #dynamics starts as one of the most interactive ones. Today we have Prof. Dmitri Kilin from the North Dakota State U interrogating in-person students with some good questions.

Today, we continue the #CyberTraining #SummerSchool with enlightning lectures by @UBuffalo #physics Prof. Peihong Zhang on #GW and #BSE calculations in large #SolidState systems. Can't wait to run such calculations in the afternoon.

Prof. Luis Rego starts the Day #3 of the @NSF #CyberTraining #workshop on #quantum and #nonadiabatic #dynamics of #excited_states @UBChemistry. The other half of participants is online. Join us online for the rest of this 2 weeks event: compchem-cybertraining.github.io/Cyber_Training…

Congratulations to Mohammad Shakiba @MohammadSh_1995 with such an amazing work! 🥳We are also very happy to also apper on the @jctc_papers cover - Mohammad's art is really impressive

[ASAP] Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids ift.tt/sWyuGZ3