December 12, 2019: Our paper on third-order implementation of algebraic diagrammatic construction for electron affinities and ionization energies is out in the Journal of Chemical Physics! This project was lead by our graduate student Samragni Banerjee.
December 4, 2019: A huge welcome to first-year graduate students Rajat Majumder and Terrence Stahl who officially join our group as of today!
October 16, 2019: A preprint of our new paper describing implementation of single-reference algebraic diagrammatic construction theory for electron attachment and ionization energies and its applications to electron affinities of atoms and small molecules, DNA/RNA nucleobases, X-ray ionization of a zinc atom, and band gaps of hydrogen chains is available on arXiv.
October 1, 2019: Our paper about second-order multireference algebraic diagrammatic construction theory for ionization energies and photoelectron spectra just came out in the Journal of Chemical Theory and Computation.
September 4, 2019: Congratulations to our graduate student Samragni Banerjee for successfully passing her candidacy exam and becoming the first Ph.D. candidate of the Sokolov group!
June 2, 2019: A preprint of our paper on second-order multireference algebraic diagrammatic construction theory for simulating photoelectron spectra of strongly correlated systems is available on ArXiv. Check it out.
May 9, 2019: Our collaboration paper with Zhang Lab from OSU has been accepted for publication in Angewandte Chemie International Edition! This paper reports synthesis and computations of a rare Cu(II)–NO• complex with multiconfigurational open-shell singlet ground state.
April 20, 2019: One more time congratulations to our undergraduate student Ruojing Peng who received two awards: ACS Physical Chemistry Division Undergraduate Award and Hypercube Scholar Award! We are proud of Ruojing’s accomplishments!
April 11, 2019: Congratulations to our undergraduate student Ruojing Peng who has officially accepted an offer to start Ph.D. at the California Institute of Technology in the Fall semester of 2019! We wish her enjoyable, productive, and successful Ph.D. experience!
March 9, 2019: Alex will give an invited lecture at the Pacifichem 2020 conference, which will take place in Honolulu, Hawaii from December 15 – 20, 2020.
February 21, 2019: Samragni and Ruojing presented posters at the 59th Sanibel Symposium on St. Simons Island, Georgia, and Ruojing won the best undergraduate poster award! Congratulations, Ruojing!
February 20, 2019: Check out the updated Research page!
January 16, 2019: Alex was invited to give a talk at a workshop on electron-density-based approaches to time-dependent processes that will take place on June 24 – 26, 2019, at ETH Zürich, Switzerland.
December 23, 2018: A new preprint describing our work on simulating X-ray absorption spectra using linear-response density cumulant theory appeared on ArXiv. This project was lead by our undergraduate student Ruojing Peng.
December 17, 2018: Graduate student Ilia Mazin joins our group as our second graduate student! Welcome, Ilia!
November 9, 2018: Our paper about multireference algebraic diagrammatic construction theory has been selected as an Editor’s pick in the Journal of Chemical Physics!
November 9, 2018: Our undergraduate student Ruojing Peng received Undergraduate Research Scholarship! Congratulations, Ruojing!!!
October 21, 2018: Alex was invited to give a talk at the ACS Meeting in Orlando, FL (March 31 – April 4, 2019).
September 24, 2018: Alex will give an invited talk at the ACS Meeting in San Diego, CA (August 25 – 29, 2019).
September 9, 2018: New paper “Multireference algebraic diagrammatic construction theory for excited states: General formulation and first-order implementation” from our group is available on ArXiv!
August 23, 2018: Autumn Schultz joins our group for a rotation. Welcome, Autumn!
July 15, 2018: Our paper about linear-response density cumulant theory was published in JCTC.
July 2, 2018: Koushik Chatterjee joins our group as our first Postdoctoral Researcher! Welcome, Koushik!
June 22, 2018: Alex gave an invited talk at the 50th Midwest Theoretical Chemistry Conference in Chicago, IL.
June 18, 2018: Graduate student Ilia Mazin joins our group for a rotation. Welcome, Ilia!
April 8, 2018: Our new paper about linear-response density cumulant theory for excited electronic states is available on arXiv.
March 28, 2018: Alex will give an invited talk at the 50th Midwest Theoretical Chemistry Conference that will take place in Chicago, IL (June 21 – 23, 2018).
December 14, 2017: Samragni Banerjee officially joins our group as our first graduate student!
November 8, 2017: Our group participated in the outreach event called Breakfast of Science Champions. During this event, middle school students from Columbus City Schools came to the Ohio State University for a day of hands-on science activities. Some of them came to our lab to learn about quantum chemistry! Check out some photos.
October 26, 2017: Our collaborator Andreas Copan from the Center for Computational Quantum Chemistry (UGA) is visiting our group for the next two weeks. Welcome, Andreas!
