Members

Dr. Yuezhi Mao (the PI)

Assistant Professor in Chemistry

ymao2@sdsu.edu

GMCS-213D

More information about the PI

Nilay Kanova Dogan

JDP student, Chemistry

Research interest: Noncovalent interactions in molecular catalysis; computational study of atropisomers

Kristine Legaspi

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

Research interest: Mechanistic studies and applications of electrochemical organic reactions

Eugene Kwon

JDP student, Chemistry

Research interest:
Assessment, extension, and application of excited-state electronic structure methods

Vayle Vera Cruz

JDP student, Chemistry

Research interest: Computational chemistry for molecular and heterogeneous catalysis

Jae Yoon Lee

MS student, Chemistry

Research interest: Computational study of atropisomers of drug molecules

Hawraa Al Asadi

MS student, Computational Science

Research interest: Computational and data-driven study of fluorescent proteins

Vinh Nguyen

Undergraduate student, Chemistry

Research interest: TBD

Adrian Montes

Undergraduate student, Biochemistry

Research interest: Computational Chemistry for NHC carbene

Joseph Silveira

Undergraduate student, Chemistry

Research interest: TBD

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.

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