Computational Chemistry Expert (PhD) | $40-$60/hr Remote
Overview
This role puts your deep computational chemistry expertise to work in an innovative setting — helping to train the next generation of AI systems. You'll design, evaluate, and refine chemistry workflows that directly shape how models learn and reason. It's a chance to apply your PhD-level knowledge to real-world AI benchmarking, blending molecular simulations, quantum chemistry, and cheminformatics.
What You'll Do6
- 1Create and critique advanced computational chemistry workflows used to benchmark and improve AI models.
- 2Provide expert guidance on molecular simulations, electronic structure methods, and cheminformatics pipelines.
- 3Assess and fine-tune simulation parameters and scientific software configurations to ensure accuracy and reproducibility.
- 4Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects, delivering actionable insights.
- 5Collaborate with AI teams to validate chemistry-related tools and models using your domain knowledge.
- 6Clearly document findings, methods, and best practices to enable smooth knowledge transfer across the team.
Requirements5
- 1PhD in chemistry, computational chemistry, or a closely related field (or equivalent high-level research experience).
- 2Strong hands-on expertise with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel.
- 3Proficiency in scientific programming and analytical workflows, especially using Python.
- 4Excellent quantitative, analytical, and scientific reasoning skills, with a track record of rigorous problem-solving in complex chemistry domains.
- 5Outstanding written and verbal communication — able to explain technical concepts to both specialist and non-specialist audiences.
Who Should Apply
This is ideal for a computational chemist who thrives at the intersection of chemistry and AI. You likely hold a PhD and have deep experience with simulation software, Python scripting, and data analysis. You're curious about how AI models can learn chemistry and enjoy the challenge of designing high-quality benchmarks. If you have publications, patents, or open-source contributions in the field, even better.
Salary Insight
The role pays $40–$60 per hour for a remote contractor position.
Required Skills
Application Tip
In your cover letter or application, briefly describe one computational chemistry workflow you've built or debugged — and explain how you'd adapt it to train an AI model. That concrete example will show you understand the intersection of chemistry and AI.
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