Computational Chemistry & Electronic Structure Expert | $70-$100/hr Remote
Overview
This is a remote, hourly role for an expert in computational chemistry and electronic structure who will design graduate-level benchmark problems that test advanced AI systems. You'll create challenging scientific tasks around real software like PySCF, run them against state-of-the-art AI models, and refine them until they hit the right difficulty. If you're a scientist who enjoys puzzle design and has deep hands-on experience with quantum chemistry tools, this is a unique opportunity to shape how AI handles research-level work.
What You'll Do5
- 1Design original, graduate-level computational chemistry problems that require AI systems to apply scientific software correctly and interpret results.
- 2Build problem setups, oracle functions, and solution validators in Python to evaluate AI performance on multi-step workflows.
- 3Test problems against cutting-edge AI models and adjust them to achieve the intended difficulty and clarity.
- 4Create tasks that demand strategic thinking, such as planning a sequence of simulations or experiments to uncover hidden information.
- 5Collaborate with the team to refine problem designs based on feedback and ensure they are scientifically sound and unambiguous.
Requirements6
- 1Graduate-level training in a relevant STEM field (MS, PhD, or equivalent research experience).
- 2Hands-on proficiency with PySCF or related computational chemistry software, demonstrated through publications, open-source contributions, or professional work.
- 3Strong Python programming skills for writing problem setups, oracle functions, and validators.
- 4Comfort working in a Linux/terminal environment and using remote compute sandboxes.
- 5Ability to work independently and iterate on problem designs based on feedback.
- 6Availability for at least 15–20 hours per week.
Who Should Apply
You're a computational chemist who has actually used tools like PySCF to solve research problems, not just read about them. You know the quirks and edge cases of methods like DFT, TDDFT, and CASSCF, and you enjoy crafting challenges where the difficulty comes from scientific reasoning rather than sheer computation. You think like a puzzle designer and you're excited about testing whether AI can truly handle research-level science.
Salary Insight
The compensation is $70–$100 per hour, paid on an hourly basis.
Location
Required Skills
Application Tip
The application includes a coding assessment, so review your Python and PySCF skills beforehand. Be ready to show not just that you can run calculations, but that you understand method limitations and can design problems that require strategic insight.
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1Application received
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