Job Title: Computational Chemistry Subject Matter Expert (SME) Freelance

Location: India
Work Mode: 100% Remote
Employment Type: Freelance / Contract-Based
Project Domain: Computational Chemistry | Scientific AI | Python Programming

About the Role

We are seeking qualified Computational Chemistry experts to contribute to an advanced AI research project focused on evaluating scientific reasoning and programming capabilities. The role involves developing and reviewing research-level chemistry problems that require scientific knowledge, numerical methods, and Python programming.

Key Responsibilities

- Develop complex computational chemistry problems involving scientific reasoning and numerical implementation.
- Write clear problem specifications, including equations, assumptions, parameters, and expected outputs.
- Develop, debug, and validate Python reference solutions.
- Create and review test cases to verify solution accuracy, edge cases, and numerical correctness.
- Evaluate scientific code for chemical accuracy, mathematical consistency, numerical reliability, and test coverage.
- Identify and document issues in problem statements, computational models, code, and expected results.

Required Qualifications

- PhD in Chemistry, Computational Chemistry, Quantum Chemistry.
- Strong expertise in computational chemistry,



quantum chemistry, or electronic structure methods.
- Hands-on Python programming experience, including the ability to write, debug, and validate scientific code.
- Proficiency in translating chemical models and equations into accurate Python implementations.
- Strong analytical, scientific reasoning, and problem-solving skills.
- Currently residing in a European country.

Preferred Qualifications

- Experience with NumPy, SciPy, or computational chemistry libraries.
- Knowledge of molecular calculations, molecular simulation, chemical kinetics, thermodynamics, or scientific software development.
- Experience reviewing scientific code, numerical workflows, or research datasets.
- Familiarity with AI evaluation or scientific coding benchmarks is an advantage.

Work Arrangement

- Fully remote freelance opportunity.
- Flexible working schedule, subject to project requirements.
- Task-based work involving scientific problem development, code validation, and technical review.
- Prospect to contribute to cutting-edge AI research and scientific benchmark development.

Interested candidates: Please apply with your updated CV highlighting your computational chemistry expertise and hands-on Python programming experience.

📌 Subject Matter Expert (India)
🏢 Innodata India
📍 India