Computational Chemistry Expert | $40-$60/hr Remote
Listing checked September 1, 2026 · pay as published by Micro1
Overview
This remote role offers a unique opportunity for a computational chemistry expert to directly shape the next generation of AI systems. You'll apply your deep knowledge of molecular simulations, quantum chemistry, and cheminformatics to design, evaluate, and improve AI benchmarks. Your work will ensure these models learn accurately from real-world chemical data, bridging the gap between scientific research and cutting-edge artificial intelligence.
What You'll Do7
- 1Develop and critique advanced computational chemistry workflows to support AI model benchmarking and validation.
- 2Provide expert guidance on molecular dynamics, electronic structure methods, and cheminformatics pipelines to improve model reasoning.
- 3Optimize simulation parameters and configure scientific software to achieve accurate and reproducible results.
- 4Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects, turning findings into actionable recommendations for AI development.
- 5Collaborate with AI teams to validate chemistry-related models, using your domain expertise to identify strengths and gaps.
- 6Communicate complex scientific concepts clearly to both technical and non-technical team members, ensuring alignment across disciplines.
- 7Document methodologies, findings, and best practices to enable seamless knowledge transfer within the customer's organization.
Requirements6
- 1PhD in chemistry, computational chemistry, or a related field, or equivalent industry or research experience.
- 2Deep hands-on expertise with simulation-heavy environments and methods like density functional theory (DFT), force fields, and molecular docking.
- 3Proficiency with industry-standard tools including Gaussian, ORCA, GROMACS, LAMMPS, RDKit, or OpenBabel.
- 4Strong scientific programming skills in Python for building and analyzing complex computational workflows.
- 5Excellent quantitative, analytical, and scientific reasoning skills, with a track record of rigorous problem-solving in chemistry domains.
- 6Outstanding written and verbal communication abilities, with the ability to clearly document technical insights for diverse audiences.
Who Should Apply
This role is ideal for a computational chemist (PhD or equivalent) who is passionate about advancing AI through real-world science. You should be equally comfortable running molecular dynamics simulations and discussing AI/ML-assisted chemistry workflows. If you thrive on solving complex scientific puzzles and want your expertise to directly influence how AI models learn chemistry—rather than just running labs or pipelines—this contract position is a perfect fit.
Salary Insight
The role pays $40–$60 per hour, based on experience and expertise.
Pay and demand for Machine Learning & AI roles
AggregatedTypical pay
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This role
$40–$60/hr
Most Machine Learning & AI roles pay $50–$100 per hour. This role's pay falls inside that range.
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Most requested skills · share of roles
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- llm evaluation8%
- ai training6%
- quality assurance6%
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Compensation
$40–60/hr
Required Skills
Application Tip
In your application, include a specific example of how you improved the accuracy or efficiency of a computational chemistry workflow (e.g., by optimizing simulation parameters or integrating AI/ML tools). Highlight any work with benchmarking or AI model validation to stand out.
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