Quantum Chemist & AI Benchmark Designer

Mercor; New York (NY); Remote; USD 83,000 - 138,000; Full time

Job summary

Mercor is seeking a Computational Chemistry & Electronic Structure Expert to design graduate-level problems for AI benchmarks. You will use real scientific software (e.g., PySCF) to run simulations, interpret results, and design experiments that reveal hidden information from data.

You will craft problem setups, oracle functions, and solution validators, working in Linux environments with remote compute sandboxes.

Qualifications

• Graduate-level training in a STEM field (MS/PhD preferred).
• Proven proficiency with scientific software libraries (e.g., PySCF).
• Strong Python skills for problem setups, oracle functions, and validators.
• Ability to work independently and iterate on problem designs.
• Comfortable in Linux/terminal environments and remote compute sandboxes.
• Available for 15–20 hours per week.

Responsibilities

• Design problems requiring skilled use of specialized scientific software.
• Test problems against state-of-the-art AI models and refine for target difficulty.
• Develop problem setups, oracle functions, and solution validators.
• Collaborate to ensure clarity and reproducibility of benchmark tasks.

Skills

Python scripting

Research experience

Linux

Remote compute sandbox

Education

MS or PhD in STEM fields

Tools

PySCF

Job description

Mercor is seeking a Computational Chemistry & Electronic Structure Expert to design graduate-level problems for AI benchmarks. You will use real scientific software (e.g., PySCF) to run simulations, interpret results, and design experiments that reveal hidden information from data.

You will craft problem setups, oracle functions, and solution validators, working in Linux environments with remote compute sandboxes.