We are seeking a Computational Chemistry SME to create and review advanced scientific coding problems for frontier AI systems. You will work on scientific AI benchmarks (such as SciCode) that test whether AI can solve research-level chemistry problems through correct Python code.

Key Responsibilities

- Create meaningful computational chemistry problems that require chemical reasoning and numerical implementation.
- Write clear problem specifications covering chemical models, equations, units, conventions, approximations, and valid regimes.
- Code correct Python reference solutions and develop robust hidden tests (including edge cases and numerically sensitive conditions).
- Independently review problems: verify chemical models, equations, units, solutions, tests, and tolerances.
- Identify and document defects in problem statements, solutions, or tests, and recommend approvals only after thorough validation.





Required Qualifications

- MSc or PhD in Chemistry, Computational Chemistry, Quantum Chemistry, Chemical Physics, or related field.
- Advanced expertise in quantum/computational chemistry.
- Robust hands-on Python programming (solutions and tests are in Python).
- Ability to translate chemical models into correct Python code, write/debug tests, and critically review scientific coding problems.

Preferred Qualifications

- Proficiency in NumPy, SciPy, and computational chemistry libraries.
- Experience with electronic structure, molecular calculations, kinetics, thermodynamics, or molecular simulation.
- Familiarity with scientific coding benchmarks (e.g., SciCode) is a plus.

📌 Freelance - Computational Chemistry Subject Matter Expert (SME) (India)
🏢 Innodata India
📍 India