Computational Chemistry Intern - 2027

Genesis Molecular AI • San Mateo, CA

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About The Position

Genesis Molecular AI is seeking an early-career scientist for a Summer 2027 internship focused on developing and applying computational chemistry and physics methods, increasingly in combination with AI, to support drug discovery programs. The intern will work with a dedicated mentor on a research project aligned with their interests and expertise and addressing a challenge in internal or partnered programs.

The work may involve developing or refining methods in quantum chemistry, free energy simulations, enhanced sampling, molecular dynamics, or machine learning for molecular systems. The intern will collaborate with machine learning colleagues and work closely with computer-aided drug discovery scientists and medicinal chemists to benchmark methods using program data, test predictions prospectively, and integrate successful improvements into Genesis’s drug discovery platform. At the end of the summer, the intern will present their work to the company.

Requirements

• Be a PhD student with a proven track record of applying or developing computational chemistry and physics methods; exceptional MS or advanced undergraduate students with substantial research experience are also encouraged to apply.
• Have experience in one or more areas of computational chemistry, such as quantum chemistry, free energy methods, enhanced sampling, molecular dynamics, or machine learning for molecular systems.
• Be passionate about building methods that solve real problems and rigorous about testing assumptions and validating results.
• Be a skilled programmer, preferably in Python, able to turn research ideas into working code and assess the accuracy and reliability of methods.
• Have experience using AI coding agents and the scientific and engineering judgment to verify generated code, debug subtle failures, and recognize physically incorrect results.

Responsibilities

• Conduct a focused research project with a dedicated mentor that addresses a challenge in internal or partnered drug discovery programs.
• Develop and refine computational chemistry and physics methods, potentially including quantum chemistry, free energy simulations, or enhanced sampling.
• Collaborate with the machine learning team on molecular modeling and property prediction.
• Work with computer-aided drug discovery scientists and medicinal chemists to benchmark methods on real program data and test predictions prospectively.
• Integrate successful method improvements into the drug discovery platform.
• Present research findings to the company at the end of the summer.

Benefits

• Opportunity to work on challenging, high-impact computational chemistry research aimed at accelerating the discovery of new medicines.
• Work with a close-knit, cross-functional team spanning software, machine learning, computational chemistry, medicinal chemistry, and biology.
• One-on-one research mentorship.

What This Job Offers

• Career Level: Intern
• Education Level: No Education Listed