Chemist, DeepMind

Google LLC; New York, Mountain View (NY, CA); On-site; USD 174,000 - 252,000; Full time

Benefits offered by this job

Equity

Bonus target

Benefits

Job summary

Google LLC is seeking a Chemist Subject Matter Expert for the CBRNE team within the Responsible Frontier AI Research group. You will evaluate and mitigate safety risks of frontier AI models in chemistry, applying CASP, docking, and data-driven toxicology approaches using Python (RDKit) and ML/physics-based methods.

The role focuses on safeguarding chemistry-focused AI tools and communicating results to stakeholders, with equity and a strong emphasis on safety and ethics across Google DeepMind

Qualifications

• PhD in synthetic or computational chemistry or equivalent experience.
• 2 years post-doctoral, industry, or defense experience with wet-lab bench work on multi-step syntheses.
• Experience in cheminformatics and Python-based data analysis (RDKit) for reaction and bioactivity/toxicity datasets.
• Experience with CASP, retrosynthesis tools, and 3D docking/pharmacophore modeling.
• Experience with Scientific AIs and applying LLMs to scientific problems.

Responsibilities

• Design, execute, and review computational chemical evaluations including automated synthesis planning and docking.
• Review model outputs for chemistry evaluations and assess metrics like accuracy.
• Recommend mitigations to ensure chemical safety while preserving legitimate science.
• Update harm frameworks and threat models using evaluation data.
• Communicate technical results to chemists and executives.

Skills

Python (RDKit)

Cheminformatics

Molecular docking

ML in chemistry

Education

PhD in synthetic or computational chemistry

Tools

CASP

Retrosynthesis tools

3D structure modeling

Job description

• 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.

Preferred qualifications:

• Experience with dual-use chemistry, the Chemical Weapons Convention (CWC) and Schedules, and other national and international chemical control treaties and documents.
• Understanding (without deep technical detail) of the training and operating principles of LLMs.
• Understanding (without deep technical detail) of the mitigation strategies applied to LLMs to prevent the proliferation of dual-use scientific information.

Understanding of model evaluation methodologies for determining the frontier risks of modern AI models; see Google’s FSF and similar documents at other AI labs.

About the job

Google’s CBRNE team (Chemical, Biological, Radiological, Nuclear and Explosives) makes sure that as Gemini gets better at science, it does not become a tool for catastrophic harm. We would like to invite applications from qualified chemists for the position of a Chemist Subject Matter Expert (SME) in the CBRNE team within the Responsible Frontier AI Research (RFAIR) team, joining SMEs with broad experience across Chemistry.

The successful applicant will be hired for a Research Scientist position serving as a technical expert responsible for evaluating and mitigating safety risks of frontier AI models (primarily but not limited to LLMs) in the chemistry domain. Artificial intelligence will be one of humanity’s most transformative inventions. At Google DeepMind, we are a pioneering AI lab with exceptional interdisciplinary teams focused on advancing AI development to solve complex global challenges and accelerate high-quality product innovation for billions of users. We use our technologies for widespread public benefit and scientific discovery, ensuring safety and ethics are always our highest priority. We are pushing the boundaries across multiple domains. Our global teams offer diverse learning opportunities and varied career pathways for those driven to achieve exceptional results through collective effort. Individual pay is determined by factors including job-related skills, experience, and relevant education or training.

US: $174000 - $252000 (USD) + 15% bonus target + equity + benefits

• 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.

Google is proud to be an equal opportunity and affirmative action employer. We are committed to building a workforce that is representative of the users we serve, creating a culture of belonging, and providing an equal employment opportunity regardless of race, creed, color, religion, gender, sexual orientation, gender identity/expression, national origin, disability, age, genetic information, veteran status, marital status, pregnancy or related condition (including breastfeeding), expecting or parents-to-be, criminal histories consistent with legal requirements, or any other basis protected by law. See also Google’s EEO Policy , Know your rights: workplace discrimination is illegal , Belonging at Google , and How we hire .

Google is a global company and, in order to facilitate efficient collaboration and communication globally, English proficiency is a requirement for all roles unless stated otherwise in the job posting.

Equity is granted exclusively and discretionarily by Alphabet Inc. on the basis of an agreement concluded between you and Alphabet Inc. Alphabet Inc. is your sole contractual partner with respect to equity grants. GSU grants are not guaranteed, are discretionary, are subject to approval by the Alphabet Inc. board of directors or its delegate, the terms of the relevant Alphabet Inc. stock plan, and your grant agreement. They have no impact on statutory payments. Current or past grants do not confer an acquired right.