All email addresses are AT smu.edu

Principal Investigator

Peng Tao
Associate Professor
Computational Chemistry
E-mail:

Peng joined the Department of Chemistry in the fall of 2013 as an Assistant Professor, and was promoted to Associate Professor in 2019. He received his B.S. in Chemistry (1998) and M.S. in Physical Chemistry (2001) from the Peking University in China. He obtained his Ph.D. in Computational Chemistry from the Ohio State University in 2007. Peng’s research interest focuses on developing highly efficient and accurate computational methods to calculate free energy for chemical and biological processes, and their application to solve real world chemistry and biological problems.

Graduate Students

Mayar Mohamed
Ph.D. Student
Computational Chemistry
Email: mayarm

Graduate student in Theoretical and Computational Chemistry Program in Southern Methodist University.

Hao Tian
Ph.D. Student
Computational Chemistry
Email: haot

Hao obtained his Bachelor degree in Chemical Engineering from Beijing University of Chemical Technology, Beijing, China. He loves coding and machine learning. In his free time, he likes swimming and cooking. Please check his personal website for more information.

Chao Yin
Ph.D. Student
Computational Chemistry
Email: chaoy

Chao obtained his Bachelor degree in Applied Chemistry from Hubei University and Master degree in Theoretical Chemistry from Xiamen University. In his free time, he likes cooking, paddling and playing cards.

Sian Xiao
Ph.D. Student
Computational Chemistry
Email: sxiao

Sian obtained his Bachelor degree in Polymer Materials and Engineering from Beijing University of Chemical Technology, Beijing, China and was an exchange student of Polymer Engineering in University of Akron, OH, USA. His interest in combination of computer science and technology with biology and chemistry leads him here to pursue a degree in Theoretical and Computational Chemistry. In his free time, he likes working out at the gym and traveling.

Undergraduate Students

Jonathan Boothe
B.S.
Email: jboothe

Jonathan Boothe is an undergraduate student majoring in Biology at SMU planning on attending medical school. He has been with the group since August 2019. In his free time he likes to watch TV and read.