Computational Chemistry Expert (India)

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