Computational Chemistry Expert (India)
About this 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 Indian 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
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