Computational Chemistry Expert - PhD

About the job Mercor connects elite creative and technical talent with leading AI research labs. Headquartered in San Francisco, our investors include Benchmark , General Catalyst , Peter Thiel , Adam D'Angelo , Larry Summers , and Jack Dorsey . Position: Computational Chemistry & Electronic Structure Expert Type: Contract Compensation: $70–$100/hour Location: Remote Commitment: 15–20 hours/week Role Responsibilities Design challenging computational problems in Computational Chemistry & Electronic Structure using PySCF for quantum chemistry calculations. Develop problems requiring strategic planning for AI to uncover hidden information through simulations and experiments. Test and refine problems against state-of-the-art AI models to achieve target difficulty. 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. Qualifications Must-Have 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. Preferred Experience across multiple domains or tools. Familiarity with benchmark or evaluation design. Background in scientific teaching or exam/problem-set design. Experience with computational reproducibility and containerized environments. Application Process (Takes 20–30 mins to complete) Upload resume AI interview based on your resume Submit form Resources & Support For details about the interview process and platform information, please check: For any help or support, reach out to: PS: Our team reviews applications daily. Please complete your AI interview and application ste