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Apply today! We are seeking enthusiastic and dedicated scientists at all levels to join our dynamic and growing lab. If you are passionate about computational chemistry or biology, biophysics, chemical biology, and drug discovery, we invite you to become a part of our team. Our lab values collaboration, mentorship, diversity, and fun, and we strive to foster a positive culture within our scientific endeavors. Our current research priorities include: 

  1. Developing new molecular docking algorithms,
  2. Test these new algorithms on underexplored targets with potential therapeutic applications,
  3. Developing computational tools for the generation of new chemogenetic tools to study various biology. 

We welcome new ideas from our team members. If you are ready to take the next step in your scientific career and make a meaningful impact in the field, apply now to join us in our mission to push the boundaries of research.

Postdoc candidates: If you are interested in a postdoctoral position in our lab, please reach out to Jiankun (JK) Lyu via email, and attach a one-page cover letter and CV.

The following qualifications are required for eligible candidates:

  1. A recent PhD in a field related to theoretical or computational chemistry, computational biology, physics, chemistry, biophysics or related disciplines;
  2. Strong background in computational chemistry and HPC computing;
  3. Strong background in molecular docking and protein structural modeling;
  4. Strong programming skills and analytic abilities.

Graduate students in the David Rockefeller Graduate ProgramTri-Institutional Ph.D. Program in Chemical Biology, or Tri-Institutional Ph.D. Program in Computational Biology & Medicine, if you are interested in a rotation in our lab, please contact Jiankun(JK) Lyu by email

Prospective graduate students: Consider applying to any of three graduate programs above to join our team.

Research assistants: If you hold a bachelor’s degree in chemistry, biology, computer science, engineering, physics, or a related field, and are interested in a research assistant position, please apply here.

Undergraduates: We also welcome local undergraduates who are interested in participating in computational projects. If you are eager to gain hands-on experience in a research setting, please send Jiankun(JK) Lyu an email.