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Computational Chemistry Expert PhD

Mercor

Job Location:

London - UK

Monthly Salary: Not provided by the employer

Posted: 14 August 2026 (12 hours ago)

Application Deadline: 11 November 2026

Vacancies: 1 Vacancy

Job Summary

About the job

Mercor connects elite creative and technical talent with leading AI research labs. Headquartered in San Francisco our investors include Benchmark General Catalyst Peter Thiel Adam DAngelo Larry Summers and Jack Dorsey.

Position: Computational Chemistry & Electronic Structure Expert
Type: Contract
Compensation: $70$100/hour
Location: Remote
Commitment: 1520 hours/week

Role Responsibilities

Design challenging computational problems in Computational Chemistry & Electronic Structure using PySCF for quantum chemistry calculations.
Develop problems requiring strategic planning for AI to uncover hidden information through simulations and experiments.
Test and refine problems against state-of-the-art AI models to achieve target difficulty.
Collaborate with AI research teams to ensure problems align with real scientific workflows.
Work independently to create problems that challenge AI reasoning beyond surface-level pattern matching.

Qualifications

Must-Have

Graduate-level training in a relevant STEM field (MS PhD or equivalent research experience).
Proven proficiency with scientific software libraries through research publications or professional work.
Strong Python skills for writing problem setups and solution validators.
Ability to work independently and refine designs based on feedback.
Comfortable in a Linux/terminal environment with remote compute sandboxes.

Preferred