Join Us

Undergraduate Researcher

Know how to programming? Want to take the challenge from the computational world in chemistry and biology? Think about joining us!

Undergraduate students who are motivated in learning quantum chemistry, molecular modeling and simulation of biomolecules are welcome to apply. Those who have strong background in computer programming and want to contribute to the development of macromolecular modeling package are also strongly encouraged to apply.

Ph.D. Students

Applications are invited for Ph.D. positions in our group. Our group focuses on the methodology development and application related to protein allostery, protein catalytic mechanism evolution, machine learning and artificial intelligence in computational chemistry. The group has been productive in recent years with numerous research articles published on first class journals in computational chemistry and chemistry in general (Angew. Chem. Int. Ed.; J. Chem. Theory Comput.; PLoS Comput Biol.; Protein Science, etc.). The Tao Research Group is highly competitive, and has successfully secured research grants from both National Science Foundation and National Institutes of Health in the USA Federal Government. The High Performance Computer (HPC) Center of SMU provides outstanding computational facilities fully available to the research group. The Ph.D. student will work within the Tao Research Group as a vibrant, friendly and supportive research environment with great working conditions for the highest possible achievement in cutting edge research area. Each Ph.D. student will be supported through annual stipend of $25,000 and full tuition waiver. The Ph.D. student will be part of the Theoretical and Computational Chemistry Ph.D. Degree program established at SMU, and carry out research activities fully under the supervision of Professor Tao.

Potential candidates should be motivated and creative, with computational skills and solid background in physics, physical chemistry, and/or computational biology. Having a good knowledge of machine learning and programming skills is highly welcome. Candidates should preferably hold a bachelor or master in computational/theoretical chemistry/biology/physics. GRE is required for all applicants. A minimum score of 80 for TOEFL is required for candidates with English as second language.

Southern Methodist University is a private institution that was founded in 1911. It has a total undergraduate enrollment of 6,452 and graduate enrollment of 5,337. Its setting is urban, and the campus size is 234 acres. The 2016 U.S. News & World Report ranks SMU #56 out of 310 best national universities in USA, and the second highest ranking in Texas. SMU is located three miles north from the downtown of Dallas. The city's population ranks ninth in the U.S. and third in Texas. Dallas is one of the fastest-growing cities in the United States, and is the main core of the largest metropolitan area in the South and the largest inland metropolitan area in the United States. The official application has to be submitted through official link of SMU graduate program. All the applicants with intention to work in Professor Peng Tao’s research group need to make clear statement in their application. To apply, please visit the website Please choose the Theoretical and Computational Chemistry Ph.D. Degree program from the Department of Chemistry.

Please email Prof. Tao (email) for additional information.