Theoretical quantum chemistry group at the Ohio State University.
Columbus, OH
Joined November 2017
- Tweets254
- Following215
- Followers1.5K
- Likes328
The Sokolov Lab retweeted
Come be my colleague!!
@OSU_CBC has searches in both organic and physical (theoretical) chemistry!
Physical:
osu.wd1.myworkdayjobs.com/OS…
Organic:
osu.wd1.myworkdayjobs.com/OS…
The Sokolov Lab retweeted
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)!
pubs.acs.org/doi/full/10.102…
The Sokolov Lab retweeted
@SokolovLab gets the PM1 session of the Advances in Theo and Comp Chem symposium going with multiref methods for excited states. #CSC2023
The Sokolov Lab retweeted
@SokolovLab closing today's talks at #ESM2023 with approaches to including spin-orbit coupling in excited states. @pterosor
The Sokolov Lab retweeted
#CSC2023 abstract deadline tomorrow! Like theory? Like applications? We've got something for everyone. Submit to "Advances in Theoretical and Computational Chemistry". Great invited talks from @GroupQuintana @see_quantum @KatieWilsonA @RoVargasHdz @ryjmac @SokolovLab
🥶 Planning to stay inside to avoid the freezing cold temperatures this weekend ❄️ ? This weekend is the perfect time to share your research & submit your abstract for #CSC2023! The submission deadline is almost here 😱 (FEB. 7 at 11:59 PM PT) buff.ly/3DAhU6g
The Sokolov Lab retweeted
This work by @Rajat_020 @SokolovLab from @OSU_CBC reports an implementation and benchmark of a new method for simulating spin–orbit coupling in ground and excited electronic states using fully internally contracted quasidegenerate NEVPT2.
go.acs.org/3FJ
The Sokolov Lab retweeted
Our latest @ChemicalScience paper shows the rates of PCET by a formal Cu(III)CN complex correlate with the electron transfer driving force! Thank the @SokolovLab for performing super cool CASSCF calculations! @OSU_CBC #copper #cyanation #PCET
pubs.rsc.org/en/content/arti…
The Sokolov Lab retweeted
A new publication co-authored by former MolSSI Software Fellow Samragni Banerjee has just issued in JACS: “Electrochemical Strategy for Proton Relay Installation Enhances the Activity of a Hydrogen Evolution Electrocatalyst.” Have a look! #compchem
doi.org/10.1021/jacs.2c06011
The Sokolov Lab retweeted
I always wanted to know more about #compchem QM/MM implementations. The dirty tricks, and the biggest pitfalls. So.... we organized a mini-symposium just for that! Short talks by students and postdocs from 9 research groups, time for discussions. fun!
quantum-multiscale.org/works…
The Sokolov Lab retweeted
Are you an international student considering a Ph.D. in chemistry in the U.S.? If so, mark your calendars for our department's webinar for international applicants to learn more about the application process and grad student life! Sign up here: forms.gle/p5J419DcGUBKvWjCA
The Sokolov Lab retweeted
Former MolSSI Software Fellow Samragni Banerjee is co-author (with @SokolovLab) of a new pub in J. Chem. Theory Comput: "Non-Dyson Algebraic Diagrammatic Construction Theory for Charged Excitations in Solids.” Have a look!
pubs.acs.org/doi/10.1021/acs…
The Sokolov Lab retweeted
Check out research from our physical chemistry division– Sept 27, 6-7pm
Sign up here: forms.gle/mXxLFQkpMrgVSs529
The Sokolov Lab retweeted
Are you planning to apply to Chemistry/Biochemistry PhD programs this fall? Our department will be hosting a series of webinars in September to showcase ongoing research in our department and answer all of your questions about our graduate program and the application process. 🧵
The Sokolov Lab retweeted
Our group website (wangtheorylab.com) is live!
AND we have an open #postdoc position in theoretical/computational materials chemistry! Please RT & help me spread the news! @Chemjobber #sciencejobs #chempostdoc #compchem
Learn more: jobrxiv.org/job/university-o…
The Sokolov Lab retweeted
Former MolSSI Software Fellow Samragni Banerjee is co-author (with @SokolovLab and T. Stahl) of a new pub in JCP: "Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations.” Have a look!
doi.org/10.1063/5.0097333
The Sokolov Lab retweeted
I'll drive tomorrow to Chicago to attend the @AmerChemSociety #ACSFall2022, where I'll give an invited talk during the symposium "Quantum Chemistry: Current and Future Frontiers", organized by Professors Francesco Evangelista (@ELabEmory) and Alexander Sokolov (@SokolovLab). 1/4
The Sokolov Lab retweeted
BIG BUCKEYE NEWS! July 1, WRG will be joining the Department of Chemistry and Biochemistry & the Department of Chemical and Biomolecular Engineering at The Ohio State University! @OSU_CBC
@OSUengineering
Excited, humbled and grateful for this new opportunity 😊 #blackinSTEM
The Sokolov Lab retweeted
The Nascimento Lab is looking for a post-doc to work on the development of electronic structure methods to model light-matter interactions at the molecular scale. If you are interested, apply at workforum.memphis.edu/postin…. The posting will be opened until Feb 14.
The Sokolov Lab retweeted
My group @YaleChem has open postdoc positions to work on electronic structure theory for periodic systems, ab initio materials simulation, and machine learning. Follow the link to apply and for details. RT appreciated! @Chemjobber #chempostdoc #compchem
jobrxiv.org/job/yale-univers…
