Quantum Chemistry Problem Designer

Mercor; San Francisco (CA); On-site; USD 120,000 - 180,000; Part time

Job summary

Mercor seeks a Computational Chemistry & Electronic Structure Expert to design graduate-level problems for a large-scale AI benchmarking project. You will create challenging computational tasks that require real scientific software, run simulations, and interpret results to guide problem design.

Ideal candidates have hands-on PySCF experience, strong Python skills, and can work independently in Linux environments. This role is part-time (15–20 hours/week) and suitable for remote collaboration.

Qualifications

• Graduate-level training in a relevant STEM field (MS, PhD, or equivalent).
• Proven proficiency with at least one listed scientific software library.
• Strong Python skills — you'll be writing problem setups, oracle functions, and solution validators.
• Ability to work independently and refine problem designs based on feedback.
• Comfortable working in a Linux/terminal environment with remote compute sandboxes.
• Available for at least 15–20 hours per week.

Responsibilities

• Design graduate-level computational problems using scientific software.
• Test and benchmark problems against state-of-the-art AI models.
• Refine problems until the target difficulty is achieved.
• Interpret results and identify informative measurements to guide problem design.

Skills

Python

Problem design

Independent work

Graduate-level expertise

Education

MS/PhD in STEM

Tools

PySCF

Job description

Mercor seeks a Computational Chemistry & Electronic Structure Expert to design graduate-level problems for a large-scale AI benchmarking project. You will create challenging computational tasks that require real scientific software, run simulations, and interpret results to guide problem design.

Ideal candidates have hands-on PySCF experience, strong Python skills, and can work independently in Linux environments. This role is part-time (15–20 hours/week) and suitable for remote collaboration.