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Computational Chemistry Benchmark Designer; PhD

Job in New York, New York County, New York, 10261, USA
Listing for: Obsidian
Full Time position
Listed on 2026-10-07
Job specializations:
  • Research/Development
    AI Evaluation, Research Scientist, Drug Discovery
Salary/Wage Range or Industry Benchmark: 120000 - 190000 USD Yearly USD 120000.00 190000.00 YEAR
Job Description & How to Apply Below
Position: Computational Chemistry Benchmark Designer (PhD)
Location: New York

Obsidian seeks a Computational Chemistry & Electronic Structure Expert to design graduate-level problems using real scientific workflows. You will craft challenging scenarios that require running simulations with PySCF and related tools to test AI systems.

Applicants should have MS or PhD level, strong Python skills, and proven experience with quantum chemistry libraries. You will publish benchmarks and contribute to scalable problem design for evaluation.

Our team is growing, and we are hiring a Computational Chemistry Benchmark Designer (PhD) in New York, NY, United States.

We would love to welcome a new Computational Chemistry Benchmark Designer (PhD) to our group in New York, NY, United States.

For the Computational Chemistry Benchmark Designer (PhD) position at Obsidian, we are reviewing applications now.

Step into the Computational Chemistry Benchmark Designer (PhD) role at Obsidian in New York, NY, United States and grow with us.

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