You build expert computational chemistry scenarios and assess AI answers for reproducibility and fidelity to real workflows. It suits chemists with DFT, molecular dynamics or cheminformatics track records who write clearly and work independently.
About the role
Opportunity Overview
Handshake is looking for experienced chemists to support AI research through flexible, part-time contract work. This is not a traditional job — you'll draw on your hands-on experience in computational, physical, or theoretical chemistry to evaluate AI-generated content and provide feedback that helps AI reason like a practicing chemist.
This is an ongoing, project-based opportunity you can take on alongside your current role.
What You'll Do
- Use your domain expertise to create expert-level computational chemistry problems and scenarios grounded in real simulation, modeling, and reaction workflows
- Review and evaluate AI-generated responses for technical accuracy, reproducibility, and alignment with how the work is actually done
- Provide structured written feedback to help improve AI model performance
- Complete tasks at your own pace with no set schedule or minimum hour requirement
Qualifications
Ideal candidates meet all three of the following:
- Industry/research experience — first-author publications or a track record of running production-scale simulation/DFT workflows
- Degree — PhD in Computational, Physical, or Theoretical Chemistry. An MS paired with pharma or materials industry experience also qualifies
- Sub-domain depth — demonstrated expertise in one of the following areas:
- Quantum chemistry (Gaussian, ORCA, Psi4, VASP)
- Molecular dynamics (GROMACS, LAMMPS)
- Cheminformatics (RDKit) and reaction/thermodynamic modeling
Candidates who meet at least 2 of the 3 qualifications above are also encouraged to apply.
Additional qualifications (not required, but strengthen your application)
- Proficiency across multiple quantum chemistry, MD, and cheminformatics platforms
- Experience running production simulation or DFT pipelines in a pharma, materials, or energy research setting
Required for all applicants
- Must have UK work authorization
- Strong written communication and attention to detail
- Ability to explain complex chemistry concepts clearly
- Ability to work independently in a remote, asynchronous environment
About
Handshake AI
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