Members

Dr. Yuezhi Mao (the PI)

Assistant Professor in Chemistry

ymao2@sdsu.edu

GMCS-213D

More information about the PI

Luna Huynh

JDP student, Computational Sci.

Research interest: computational modeling of chemical reactions; computational chemistry code development

Nilay Kanova Dogan

JDP student, Chemistry

Research interest: noncovalent interactions in molecular catalysis

Eugene Kwon

JDP student, Chemistry (joint with the Jazzar lab)

Research interest: computational design of TADF molecules for photoredox catalysis

Kristine Legaspi

JDP student, Chemistry (experimental advisor: Prof. Shelley Minteer at Missouri S&T)

Research interest: mechanistic studies and applications of electrochemical organic reactions

Wyatt Mathers

MS student, Chemistry

Research interest: understanding chirality in catalysis

Vayle Vera Cruz

MS student, Chemistry

Research interest: computational chemistry for solid state and interfaces

Mateo Contreras

Undergraduate student, Chemistry; MARC scholar

Research interest: Computational modeling of enzyme reactions

Jae Yoon Lee

Undergraduate student, Biochemistry

Research interest: Computational study of atropisomers of drug molecules

Gabriel Deleon

Undergraduate student, Biochemistry

Research interest: Computational characterization of electric fields and their effects in chemical systems

The Mao lab is looking for new members (students and postdoc scholars) with a background in chemistry, physics, computer science, or other related quantitative areas to join the team. Students and postdocs will acquire the following skills through research in the Mao lab: (i) usage of computational chemistry software packages for electronic structure calculations (Q-Chem, ORCA, CP2K, etc.) and molecular dynamics simulations (e.g., AMBER, GROMACS); (ii) data processing, analysis, and visualization using Python or other tools; (iii) construction of machine-learning models using Python and specialized featurization schemes for chemical systems; (iv) coding in the Q-Chem program (mainly in C++) for the development of advanced electronic structure methods. For additional information, please contact Dr. Mao at ymao2@sdsu.edu.

Page updated

Report abuse