Computational Chemist - Quantum Specialist

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: STEM Computational Scientific Software & Evaluation Design - Computational Chemistry & Electronic Structure
Type: Contract
Compensation: $70–$100/hour
Location: Remote
Commitment: 15–20 hours/week

Role Responsibilities

• Design graduate-level computational problems using domain-specific scientific software libraries.
• Develop tasks that require strategic reasoning to uncover hidden information through experiments and queries.
• Calibrate and refine problem designs against state-of-the-art AI models to achieve target difficulty.
• Collaborate on AI model training, evaluation, and improvement by shaping problem-solving strategies.
• Work independently and asynchronously to iterate on problem designs and meet deadlines.
• Utilize PySCF for quantum chemistry calculations, including Hartree-Fock, DFT, TDDFT, and CASSCF.

Qualifications

Must-Have

• Graduate-level training in a relevant STEM domain (MS, PhD, or equivalent research experience).
• Proficiency with at least one scientific software library, evidenced by research publications or professional work.
• Strong Python programming skills for writing problem setups and solution validators.
• Ability to work independently and iterate on designs based on feedback.
• Comfortable in a Linux/terminal environment with remote compute sandboxes.

Preferred

• Experience across multiple listed domains or tools.
• Familiarity with benchmark or evaluation design.
• Background in scientific pedagogy 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.