The Sokolov Lab

Theoretical quantum chemistry group at the Ohio State University.

[The Sokolov Lab @SokolovLab]

Our latest paper on simulating core-ionized states and X-ray photoelectron spectra of solids is out in J Phys Chem A: https://t.co/tT7054lSof

[The Sokolov Lab @SokolovLab]

New preprint: implementation and benchmark of periodic algebraic diagrammatic construction theory to compute the core-ionized states and X-ray photoelectron spectra of crystalline materials. https://t.co/tENT3vzTMl

[The Sokolov Lab @SokolovLab]

@kaunlao Congratulations!!!

[The Sokolov Lab @SokolovLab]

Our paper describing single- and multireference algebraic diagrammatic construction theory of charged excitations with consistent treatment of spin–orbit coupling and dynamic correlation is out in @jctc_papers : https://t.co/LH2jnd8e8A

[The Sokolov Lab @SokolovLab]

Our paper describing an implementation of ADC with polarizable embedding for simulating ionized states in realistic environments is out in a special issue of JPCA: https://t.co/qBrFurDHgg

[The Sokolov Lab @SokolovLab]

Happy New Year everyone! New preprint from our group is out on arXiv: "Two-Component Algebraic Diagrammatic Construction Theory of Charged Excitations With Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation" https://t.co/N0m9IYs68r

[The Sokolov Lab @SokolovLab]

@kaunlao @NSF @VCU @VCUChemistry @VCUCHS Congratulations!!!

[The Sokolov Lab @SokolovLab]

New preprint "Simulating Ionized States in Realistic Chemical Environments With Algebraic Diagrammatic Construction Theory and Polarizable Embedding" is out on arXiv https://t.co/PmlAyDwsQg

[The Sokolov Lab @SokolovLab]

Our department, together with the Department of Physics, has an opening for an Endowed Professorship in Chemical Physics! Applications are due on November 1, 2024. https://t.co/c2vJ5iTlBe

[The Sokolov Lab @SokolovLab]

One week before applications are due!

[The Sokolov Lab @SokolovLab]

Our department has a junior faculty opening in theoretical chemistry! Outstanding applicants in all areas of theoretical chemistry will be considered. https://t.co/2FZI6Z7jls

[The Sokolov Lab @SokolovLab]

Interested in applying to a Ph.D. program in physical chemistry? Our department is organizing a webinar with talks from faculty and Q&A session about graduate school. Date & time: October 8, 6 - 7 pm EDT. Register here: https://t.co/LjdvzOyCO3

[Dr. Christine Thomas @CThomas_group]

Come be my colleague!!
@OSU_CBC has searches in both organic and physical (theoretical) chemistry!
Physical:
https://t.co/aLoLyXkyaH
Organic:
https://t.co/tL0pgjRx1l

[The Sokolov Lab @SokolovLab]

Our department has a junior faculty opening in theoretical chemistry! Outstanding applicants in all areas of theoretical chemistry will be considered. https://t.co/2FZI6Z7jls

[The Sokolov Lab @SokolovLab]

The 90th volume of "Advances in Quantum Chemistry" featuring our review chapter "Multireference perturbation theories based on the Dyall Hamiltonian" is finally out! https://t.co/0g2p86d5vj

[The Sokolov Lab @SokolovLab]

It was great to host Ivan Popov from Washington State University who gave an excellent seminar about his group’s work on actinide compounds!

[Popov Computational Lab @Popov_Group]

Thanks to Alexander Sokolov for the invitation to give a seminar at the Chemistry & Biochemistry department at Ohio State University.
It was also great to learn about QDNEVPT2 and MR-ADC methods from the excellent grad students at @SokolovLab

[The Sokolov Lab @SokolovLab]

Congratulations to Terry Stahl and Rajat Majumder who became Ph.D. #3 an #4 from our group!

[The Journal of Physical Chemistry @JPhysChem]

A new paper from @SokolovLab and @carlosevmoura reporting an efficient implementation of MR-ADC for core-ionized states that allows to simulated XPS spectra for large molecules (~1500+ orbitals)!
https://t.co/xv1t1682qr

[The Sokolov Lab @SokolovLab]

Our paper on efficient implementation of MR-ADC for core-ionized states and X-ray photoelectron spectra is out in the special issue of @JPhysChem A! https://t.co/NiKwjVCCjB

[The Sokolov Lab @SokolovLab]

Our student Donna presented her work at the recent NOBCChE conference at Wayne State in Detroit, MI!

[Ohio State Chemistry and Biochemistry @OSU_CBC]

The OSU NOBCChE Student Chapter at the Midwest Regional Meeting at Wayne State this past weekend!

[The Sokolov Lab @SokolovLab]

Our group had a great time at MWTCC in @UWMadison
(https://t.co/aQaziTiPA8) last week! Undergraduate student Peter and graduate students Abdelrahman and Donna presented posters. Our rising second-year graduate student James gave a talk, for which he received an award!