Position Description

Theoretical and Computational Scientist
Job Category Fulltime Term
ExemptOvertimeEligible Exempt
Benefits Eligible Benefit Based
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Caltech is a world-renowned science and engineering institute that marshals some of the world's brightest minds and most innovative tools to address fundamental scientific questions. We thrive on finding and cultivating talented people who are passionate about what they do. Join us and be a part of the diverse Caltech community.

Job Summary

The Theoretical and Computational Scientist will report to Garnet Chan. This is a term assignment lasting 12 months from the date of hire, with possibility for renewal. Additional or extended funding may result in extension of the original length of the assignment. The Theoretical and Computational Scientist will technically contribute to scientific research on electronic structure theory, and will contribute to the code development of the PySCF software package.

Job Duties

– Work on projects associated with molecular and condensed phase quantum chemistry.
– Develop new software and maintain existing software associated with the group, including but not limited to the PySCF package.
– Help organize internal group seminars and provide coding assistance to the group members.
– Perform other duties as assigned.

Basic Qualifications

– PhD in Chemistry or Physics.
– 3 or more years of programming experience (C++, Fortran, Python).
– Basic knowledge of quantum chemistry.
– Unix or Linux experience.
– Good communication with collaborators.

Preferred Qualifications

– Advanced knowledge of quantum chemistry and condensed matter electronic structure.
– 5 or more years of programming experience (C++, Fortran, Python) developing large-scale quantum chemistry packages.

Required Documents


– Resume

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EEO Statement

We are an equal opportunity employer and all qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, or national origin, disability status, protected veteran status, or any other characteristic protected by law.

Caltech is a VEVRAA Federal Contractor.

To read more more Equal Employment Opportunity (EEO) go to eeoc_self_print_poster.pdf