Computational Chemistry Expert | $20-$60/hr Remote
Overview
In this contractor role, you will apply your expertise in computational chemistry to help train next-generation AI systems. Your work involves designing, evaluating, and critiquing advanced computational chemistry workflows for AI benchmarking initiatives. You will provide expert-level insights on molecular simulations, electronic structure methods, and cheminformatics pipelines, while optimizing simulation parameters and analyzing data from molecular dynamics, quantum chemistry, and drug discovery projects.
What You'll Do7
- 1Design, evaluate, and critique advanced computational chemistry workflows to support AI benchmarking initiatives.
- 2Provide expert-level insights on molecular simulations, electronic structure methods, and cheminformatics pipelines.
- 3Assess and optimize simulation parameters and scientific software configurations for accuracy and reproducibility.
- 4Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects, providing actionable recommendations.
- 5Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
- 6Communicate complex scientific concepts clearly to technical and non-technical collaborators.
- 7Document findings, methodologies, and best practices to ensure knowledge transfer across the customer's team.
Requirements7
- 1PhD in chemistry, computational chemistry, or closely related field, or equivalent industry/research experience.
- 2Deep expertise with computational chemistry methods and simulation-heavy environments.
- 3Proficiency with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel.
- 4Strong scientific programming and analytical workflow experience, especially using Python.
- 5Excellent quantitative, analytical, and scientific reasoning skills.
- 6Outstanding written and verbal communication abilities, with the ability to clearly document and explain technical concepts.
- 7Track record of rigorous scientific problem-solving in complex chemistry domains.
Who Should Apply
The ideal candidate holds a PhD in computational chemistry or a related field and has deep hands-on experience with molecular simulations, quantum chemistry software (e.g., Gaussian, ORCA, GROMACS), and Python-based scientific workflows. You should be passionate about applying your domain knowledge to shape AI models and enjoy collaborating across teams to solve complex chemistry problems.
Salary Insight
$20-$60 per hour, remote contract position.
Required Skills
Application Tip
Highlight specific projects or publications where you used computational chemistry tools (e.g., Gaussian, GROMACS) and any experience with AI/ML-assisted chemistry workflows or benchmarking.