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 to evaluate AI systems using real scientific software.
• Develop problems requiring strategic planning and execution of complex, multi-step workflows.
• Refine problems through iterative testing against state-of-the-art AI models to achieve target difficulty.
• Collaborate with AI research teams to ensure problems test reasoning and strategic thinking.
• Work independently to design and improve problem setups and solution validators using Python.
• Operate in a Linux/terminal environment with remote compute sandboxes.

Qualifications

Must-Have

• Graduate-level training in a relevant STEM field (MS, PhD, or equivalent research experience).
• Proven proficiency with scientific software libraries like PySCF.
• Strong Python skills.
• Ability to work independently and refine problem designs.
• Comfortable in a Linux/terminal environment.

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: https://talent.docs.mercor.com/welcome
• For any help or support, reach out to: support@mercor.com

PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity.