Computational Chemist | $60/hr Remote

About the role

This is a contract position for a Computational Chemistry Expert to support AI benchmarking initiatives through design, evaluation, and critique of advanced computational chemistry workflows.

Responsibilities

• 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

Requirements

• PhD in chemistry, computational chemistry, or a closely related field, or equivalent industry/research experience
• Deep expertise with computational chemistry methods and simulation-heavy environments
• Proficiency with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel
• Strong scientific programming and analytical workflow experience, especially using Python
• Excellent quantitative, analytical, and scientific reasoning skills