Computational Chemist | Remote

Position: Computational Chemistry Expert

Type: Contract

Compensation: $20 - $60/hour

Location: Remote

Commitment: 10-40 hrs/week

• Design, evaluate, and critique advanced computational chemistry workflows to support AI benchmarking initiatives.
• Provide expert-level insights on molecular simulations, electronic structure methods, and cheminformatics pipelines.
• Assess and optimize simulation parameters and scientific software configurations for accuracy and reproducibility.
• Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects, providing actionable recommendations.
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
• Document findings, methodologies, and best practices to ensure knowledge transfer across the customer's team.

• Have a PhD in chemistry, computational chemistry, or a closely related field, or equivalent industry/research experience.
• Possess deep expertise with computational chemistry methods and simulation-heavy environments.
• Demonstrate proficiency with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or Open Babel.
• Have strong scientific programming and analytical workflow experience, especially using Python.
• Exhibit excellent quantitative, analytical, and scientific reasoning skills.