Computational Chemistry & Electronic Structure Expert | $70-$100/hr Remote
Overview
Join a project that measures how well advanced AI systems tackle real scientific and engineering challenges. As a task designer, you'll craft original, graduate-level computational problems centered on real research workflows, then test them against leading AI models and fine-tune the difficulty until each one lands just right. We're currently seeking experts in computational chemistry and electronic structure—especially those with hands-on PySCF experience—to help build this large-scale benchmark. This is a remote, hourly role that blends deep scientific knowledge with puzzle-like problem design.
What You'll Do6
- 1Design challenging computational problems that require the skilled use of specialized scientific software, from straightforward multi-step calculations to open-ended investigations where the AI must plan its own queries and interpret partial results.
- 2Develop problems involving quantum chemistry methods such as Hartree-Fock, DFT, TDDFT, CASSCF, and post-HF approaches, including tasks around excited-state analysis, orbital diagnostics, and method-selection for tricky electronic structures.
- 3Test each problem against state-of-the-art AI systems, observing where they succeed or fail, and iteratively refine the problem statement, setup, or difficulty to hit a target level.
- 4Write oracle functions, solution validators, and problem setups in Python, ensuring that answers are unambiguous and that the underlying scientific reasoning is sound.
- 5Work within a Linux/terminal environment and remote compute sandboxes to run simulations and validate problem behavior.
- 6Collaborate with the team to ensure the benchmark covers a diverse range of scientific difficulty and reasoning types, not just computational complexity.
Requirements6
- 1Graduate-level training in a relevant STEM field (MS, PhD, or equivalent research experience), with demonstrated hands-on use of scientific software libraries in real research—not just theoretical familiarity.
- 2Deep, practical experience with PySCF and a solid grasp of computational chemistry concepts, including Hartree-Fock, DFT, TDDFT, CASSCF, and post-HF methods.
- 3Strong Python programming skills, since you'll be writing problem setups, oracle functions, and validation scripts.
- 4Comfort working independently, iterating on problem designs based on feedback, and debugging complex scientific workflows.
- 5Proficiency with Linux and command-line tools, plus experience using remote compute environments or containers.
- 6Availability for at least 15–20 hours per week to meet project deadlines and participate in the testing/refinement loop.
Who Should Apply
You're a scientist or engineer who loves the mechanics of a tough problem—not just solving it, but designing it so that the path to the answer demands genuine insight. You have graduate-level expertise in computational chemistry and can write code fluently with scientific libraries. You appreciate when a problem is beautifully hard because it requires careful reasoning, not raw compute, and you enjoy watching an AI model struggle, learn, and iterating to make the challenge just right.
Salary Insight
The role pays an hourly rate of $70–$100 USD per hour, depending on experience and expertise. Compensation details are shared at the start of the project.
Location
Required Skills
Application Tip
When applying, include a short description of a sample problem you've designed (or could design) that uses PySCF and would genuinely challenge an AI model—show how you'd structure it, what methods you'd use, and where the hidden difficulty lies.
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