Computational Chemistry Expert

Research contribution

Evaluate how AI handles practical computational chemistry work through an hourly, part time contract. The project draws on your experience to make model responses more consistent with the reasoning and standards used by professionals. This work can run alongside your current role.

What the work involves

• Develop advanced problems and scenarios involving chemical simulation, modeling, and reaction workflows.
• Examine generated answers for technical correctness and reproducibility, including whether they reflect how specialists actually approach the work.
• Give researchers organized written feedback explaining your assessment of the response.

Your contribution combines designing demanding questions with evaluating the reasoning in AI answers. Clear explanations of complex computational chemistry concepts are an essential part of the work.

Experience and qualifications

The strongest match meets all three criteria below. Applicants satisfying at least two of the three are also welcome for consideration.

• Professional or research background: First author publications or substantial experience running simulation or DFT workflows at production scale.
• Education: A PhD in Computational, Physical, or Theoretical Chemistry; an MS plus experience in pharmaceuticals or materials industries is also accepted.
• Specialist depth: Depth in quantum chemistry with Gaussian, ORCA, Psi4, or VASP; molecular dynamics using GROMACS or LAMMPS; or RDKit cheminformatics and modeling reactions or thermodynamics.

Additional strengths, rather than mandatory requirements, include breadth across quantum chemistry, molecular dynamics, and cheminformatics tools and production simulation or DFT pipelines in pharmaceutical, materials, or energy research.

All applicants need precise written communication, care with details, and the ability to work independently. You should be comfortable completing assignments remotely and communicating asynchronously.

Schedule and compensation

The role offers a flexible schedule with no fixed working times and no minimum hours. You can complete tasks at your own pace while continuing other professional commitments. Pay can reach $75 per hour, with the applicable rate determined by the project.