Computational Chemistry Expert - PhD

Mercor
San Francisco, CA
Job Description
Role Overview

Design challenging computational problems in Computational Chemistry & Electronic Structure using PySCF for quantum chemistry calculations. Collaborate with AI research teams to ensure problems align with real scientific workflows. Work independently to create problems that challenge AI reasoning beyond surface-level pattern matching.

What You Will Do

Design and test problems in Computational Chemistry & Electronic Structure, refine problems against state-of-the-art AI models, and collaborate with AI research teams.

Why It Might Be a Fit

Must have graduate-level training in a relevant STEM field, proven proficiency with scientific software libraries, and strong Python skills. Preferred experience across multiple domains or tools, familiarity with benchmark or evaluation design, and background in scientific teaching or exam/problem-set design.

Requirements

  • Graduate-level training in a relevant STEM field (MS, PhD, or equivalent research experience)
  • Proven proficiency with scientific software libraries through research publications or professional work
  • Strong Python skills for writing problem setups and solution validators
  • Ability to work independently and refine designs based on feedback
  • Comfortable in a Linux/terminal environment with remote compute sandboxes

Benefits

  • Hourly compensation: $70–$100/hour
  • Flexible 15–20 hours/week commitment
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