Remote Computational Chemistry Expert for AI Evaluation

Mercor; England; Remote; GBP 72,000 - 103,000; Full time

Job summary

Mercor seeks a Computational Chemistry & Electronic Structure Expert for a remote contract role. You will craft computational problems to evaluate AI systems using real scientific software, and iteratively refine them against state-of-the-art AI models while collaborating with AI research teams.

You will design and validate problem setups with Python, operating in Linux/terminal environments and remote compute sandboxes, committing 15–20 hours per week.

Qualifications

• MS/PhD or equivalent research experience in a STEM field.
• Proficiency with scientific software libraries like PySCF.
• Strong Python skills.
• Ability to design and refine problems independently.
• Comfortable in a Linux/terminal environment.

Responsibilities

• Design challenging computational problems to evaluate AI systems using real scientific software.
• Develop problems requiring strategic planning and execution of complex, multi-step workflows.
• Refine problems through iterative testing against state-of-the-art AI models to achieve target difficulty.
• Collaborate with AI research teams to ensure problems test reasoning and strategic thinking.
• Work independently to design and improve problem setups and solution validators using Python.
• Operate in a Linux/terminal environment with remote compute sandboxes.

Skills

Python

Linux/Terminal

Independent work

Education

MS/PhD or equivalent research experience

Tools

PySCF

Job description

Mercor seeks a Computational Chemistry & Electronic Structure Expert for a remote contract role. You will craft computational problems to evaluate AI systems using real scientific software, and iteratively refine them against state-of-the-art AI models while collaborating with AI research teams.

You will design and validate problem setups with Python, operating in Linux/terminal environments and remote compute sandboxes, committing 15–20 hours per week.