Job Title

Computational Chemistry Expert - AI Trainer

Job Type

Contractor

Compensation Structure

Hourly contract position. Compensation is paid based on approved hours worked and project time.

Location

Remote

Job Summary

We are looking for experienced Computational Chemistry Experts to contribute to AI training and evaluation initiatives by applying advanced expertise in computational chemistry, molecular modeling, and scientific computing. In this role, you will help train next-generation AI systems by evaluating complex chemistry workflows, analyzing simulation results, and providing high-quality scientific insights.

This is an hourly-paid contract opportunity, not a traditional research position. Contributors will work on project-based AI training and evaluation tasks designed to improve how AI systems understand computational chemistry, molecular simulations, cheminformatics, and scientific reasoning.

No prior AI experience is required. What matters most is your expertise in computational chemistry, quantitative analysis, and scientific problem-solving.

Key Responsibilities

• Design, evaluate, and refine computational chemistry workflows to support AI training, benchmarking, and evaluation projects.
• Review and assess molecular simulations, electronic structure calculations, and cheminformatics pipelines for scientific accuracy.
• Analyze results from molecular dynamics, quantum chemistry, drug discovery, and related computational research projects.
• Evaluate AI-generated scientific outputs for correctness, reproducibility, and technical validity.
• Optimize simulation parameters, computational workflows, and scientific software configurations to improve accuracy and reliability.
• Provide expert guidance on computational chemistry methodologies and best practices.
• Clearly document methodologies, findings, and technical recommendations to support AI model development.
• Collaborate with multidisciplinary teams to improve AI reasoning across chemistry and scientific research domains.

Required Skills and Qualifications

• PhD in Chemistry, Computational Chemistry, or a closely related discipline, or equivalent research or industry experience.
• Strong expertise in computational chemistry methods, molecular modeling, and simulation-based research.
• Proficiency with industry-standard computational chemistry tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, OpenBabel, or similar platforms.
• Strong programming and scientific computing experience, particularly with Python.
• Excellent analytical, quantitative, and scientific reasoning skills.
• Experience working with molecular simulations, quantum chemistry, cheminformatics, or computational drug discovery.
• Outstanding written and verbal communication skills with the ability to explain complex scientific concepts clearly.
• Ability to work independently in a remote, collaborative environment.

Preferred Qualifications

• Experience with AI, machine learning, scientific benchmarking, or AI-assisted chemistry workflows.
• Peer-reviewed publications, patents, or contributions to open-source scientific software.
• Background in drug discovery, medicinal chemistry, spectroscopy, reaction prediction, retrosynthesis, or molecular design.
• Experience with high-performance computing (HPC) environments and large-scale scientific workflows.
• Familiarity with version control systems and modern scientific software development practices.

Additional Information

This opportunity is ideal for computational chemists who enjoy solving complex scientific problems, developing advanced computational workflows, and applying their expertise to emerging AI technologies. Your contributions will directly improve how next-generation AI systems reason about molecular simulations, computational chemistry, scientific modeling, and chemical data analysis.

Job Type: Contract

Pay: $40.00 - $60.00 per hour

Benefits:

• Flexible schedule

Work Location: Remote