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)
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Mercor connects elite creative and technical talent with leading AI research labs. The company specializes in matching top-tier professionals with AI research organizations to support advanced projects. Mercor facilitates work across multiple domains including financial analysis, hedge fund strategy evaluation, and deal structuring, leveraging AI to enhance model training and research capabilities. The company bridges the gap between specialized talent and cutting-edge AI research institutions.