We are a theoretical and computational research group in the Department of Chemistry at Virginia Commonwealth University. The Lao Group is looking for undergraduate and graduate students interested in developing new methods in theoretical and computational chemistry to join the team! Send Ka Un an e-mail (email@example.com) for further information.
September 22, 2021: XSAPT review paper, “Predicting and understanding non-covalent interactions using novel forms of symmetry-adapted perturbation theory”, is published in Accounts of Chemical Research.
August 23, 2021: Q-Chem 5 paper, “Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package”, is published in The Journal of Chemical Physics.
July 1, 2021: We are grateful to receive the VCU Presidential Research Quest Fund (PeRQ) for a collaboration proposal with Prof. Indika Arachchige!
June 1, 2021: Welcome to undergraduate student Henry Childs who joins our group as an REU student in Summer 2021!
May 19, 2021: Welcome to undergraduate student Christy Bouhaidar who joins our group in Summer 2021!
April 28, 2021: Congrats to Tony on getting the 2021 Altria Undergraduate Summer Research Fellowship.
April 19, 2021: Our new paper, Ballesteros et al. “Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA-ellipticine and buckycatcher-fullerene”, is published in The Journal of Chemical Physics.
March 22, 2021: Our collaborative paper with the El-Kaderi Lab, “Exceptional sodium-ion storage by aza-covalent organic framework for high energy and power destiny sodium-ion batteries”, is published in ACS Applied Materials & Interfaces.
March 2, 2021: KUL’s paper with Robert A. DiStasio Jr., “Electron confinement meet electron delocalization: non-additivity and finite-size effects in the polarizabilities and dispersion coefficients of the fullerenes”, is published in Phys. Chem. Chem. Phys. and selected as a 2021 PCCP HOT Article.
December 15, 2020: Welcome to undergraduate students Brian Hua and Andy Nguyen who join our group in Fall 2020!
December 11, 2020: Lab is granted a 2021 DOE Mission Science Allocation Award from NERSC.
November 14, 2020: Congratulations to Corey for passing all his cumulative exams. His passes included two exams in Physical and one exam in Inorganic.
June 27, 2020: Our collaborative paper with the El-Shall Lab, “Non-covalent interactions of hydrogen cyanide and acetonitrile with the quinoline radical cation via ionic hydrogen bonding”, is published in Chemical Physics Letters.
June 10, 2020: We are grateful to be awarded the Doctoral New Investigator (DNI) grant from the American Chemical Society-Petroleum Research Fund (ACS-PRF)!
May 16, 2020: Congratulations to Francisco for passing all his cumulative exams in his first year. His passes included two exams in Physical and one exam in Analytical.
May 15, 2020: Welcome to a first-year graduate student Danyang Wang and an undergraduate student Tong Huang who join our group in Spring 2020!
May 8, 2020: Congratulations to Shelbie Dunivan for graduating!
May 4, 2020: Congrats to Tony to be selected for the 2020 VCU Honors Summer Undergraduate Research Program.
March 31, 2020: KUL’s coauthored with Robert A. DiStasio Jr., “Attracting opposites: Promiscuous ion-π binding in the nucleobases”, is published in J. Phys. Chem. A.
February 11, 2020: KUL’s coauthored with Robert A. DiStasio Jr., “Competitive adsorption as a route to area-selective deposition”, is published in ACS Applied Materials & Interfaces.
December 25, 2019: Welcome to first-year graduate students Francisco Ballesteros and Corentin Villot and undergraduate students Emma Schirmer and Shelbie Dunivan who join our group in Fall 2019!
December 17, 2019: Lab is granted a 2020 DOE Mission Science Allocation Award from NERSC.
August 19, 2019: KUL’s coauthored with Robert A. DiStasio Jr., “Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases”, is published in Sci. Data.