Welcome to the Lao Group Homepage

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 (laoku@vcu.edu) for further information. ​

NEWS

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!

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.