Chemist SME for Frontier AI Chemistry

DeepMind Technologies Limited; New York (NY); On-site; USD 174,000 - 252,000; Full time

Job summary

DeepMind Technologies Limited in the United States is seeking a Chemist Subject Matter Expert to join the CBRNE team within the Responsible Frontier AI Research (RFAIR) group, focusing on evaluating and mitigating safety risks of frontier AI models in chemistry.

The successful candidate will act as a technical expert responsible for assessing and reducing chemical safety risks of AI systems, blending advanced chemistry with AI safety and policy considerations.

Qualifications

• PhD in synthetic or computational chemistry, or equivalent practical experience.
• 2 years of post-doctoral, industry, or defense experience, including wet-lab bench experience designing, executing, and troubleshooting multi-step syntheses.
• Experience in cheminformatics and digital drug discovery tooling, specifically using Python (e.g., RDKit) to analyze reaction and bioactivity/toxicity datasets (e.g., QSAR), alongside ML (e.g., protein-ligand co-folding) or physics-based (e.g., FEP) binding affinity prediction.
• Experience with computer-aided synthesis planning (CASP), retrosynthesis tools, and 3D structure-based modeling, such as molecular docking and pharmacophore modeling.
• Experience working with Scientific AIs and applying LLMs to scientific problems.

Responsibilities

• Design, execute, and critically review the outputs of computational chemical evaluations, including automated synthesis planning, predictive toxicology, and molecular docking, to test the maximum agentic capabilities of our AI models.
• Review model outputs of synthetic chemistry evaluations, commenting on key metrics (such as accuracy) and the potential uplift provided by the model in the context of a given threat actor.
• Provide recommendations for implementing mitigations to ensure the chemical safety of our models, while minimizing the impact on legitimate science.
• Use information provided from evaluations and other data sources to update harm frameworks and threat models.
• Communicate technical results and commentary to audiences with a range of expertise, from fellow chemists to executive decision-makers.

Skills

Cheminformatics

Python

ML for chemistry

Molecular modeling

LLMs in science

Education

PhD in synthetic or computational chemistry

Tools

RDKit

CASP

Retrosynthesis tools

3D structure modeling

Job description

DeepMind Technologies Limited in the United States is seeking a Chemist Subject Matter Expert to join the CBRNE team within the Responsible Frontier AI Research (RFAIR) group, focusing on evaluating and mitigating safety risks of frontier AI models in chemistry.

The successful candidate will act as a technical expert responsible for assessing and reducing chemical safety risks of AI systems, blending advanced chemistry with AI safety and policy considerations.