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Chemist, DeepMind

Google· DeepMind
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Remote$174k - $252kFull-timePosted 2w ago

About the role

Research Scientist position in Google's CBRNE team within the Responsible Frontier AI Research (RFAIR) group, focusing on evaluating and mitigating safety risks of frontier AI models in the chemistry domain.

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.

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.

Skills

Required:Synthetic chemistryComputational chemistryPython (RDKit)

Benefits

  • Learn more about benefits at Google (link in description)
Last updated Oct 23, 2026. Interested? Apply on the company site.

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