Postdocs: We have postdoc openings! Areas of interest: high-throughput simulations, machine learning, materials informatics, computational chemistry, and materials science. Candidates with any experience in DFT simulations, using ASE packages and databases are strongly encouraged to apply. Please submit a current CV with publications listed along with references.

Graduate students: We are looking for students who are interested in computational chemistry, data science, and machine learning. Students with bachelor’s or master’s degree in chemistry, physics, materials science and engineering, or a related field are encouraged to apply.

Undergraduate students: Undergraduate students with diverse backgrounds, including chemistry, computer science, materials science are welcome to join us. Feel free to shoot me an email!

Visiting students/scholars: Funded students/scholars are always welcome to join the group at any time.

Contact Professor Liu ( if you are interested!