Semiconductor Material Science Research Scientist, DeepMind

Google LLC; Greater London; On-site; GBP 70,000 - 120,000; Full time

Job summary

DeepMind, a pioneering AI lab under Google, seeks a Semiconductor Material Science Research Scientist to advance materials discovery using first-principles simulations and ML-augmented workflows. You will collaborate with interdisciplinary teams on semiconductors and interfaces across Henry-Global projects.

Applicants should hold a PhD in a related field, master DFT/DFPT, Python, and experience with VASP/Quantum ESPRESSO; collaboration with experimentalists is encouraged.

Qualifications

• PhD or equivalent in computational materials science or related field.
• Experience with first-principles methods (DFT/DFPT) for semiconductors.
• Programming experience in Python for workflows and data analysis.
• Experience with VASP, Quantum ESPRESSO, or similar packages.

Responsibilities

• Perform advanced computational simulations (DFT/DFPT/MD) to predict semiconductor properties.
• Apply physical intuition to structure–property relations at atomic scale and interfaces.
• Collaborate with experimentalists to synthesize materials in the lab.

Skills

First-principles simulations

Python programming

Machine learning for materials

Education

PhD in computational materials science or related field

Tools

VASP

Quantum ESPRESSO

Job description

Semiconductor Material Science Research Scientist, DeepMind

Share Semiconductor Material Science Research Scientist, DeepMind

corporate_fare DeepMind place London, UK

• PhD in Computational Materials Science, Solid-State Chemistry, Condensed Matter Physics, a related field, or equivalent practical experience.
• Technical experience in first-principles simulation methods (e.g., DFT and DFPT - Density Functional Perturbation Theory).
  
• Programming experience (e.g., Python) for workflow management, data analysis, and tool automation.
• Industry or experience using computational packages like VASP, Quantum ESPRESSO, or similar.

Preferred qualifications:

• Experience in developing or applying machine learning models for materials property prediction.
• Experience with high-throughput computational workflows and running simulations on HPC or cloud infrastructure.
• Familiarity with molecular dynamics (MD) packages like LAMMPS.
• A track record of bridging the gap between computational prediction and experimental discovery.

About the job

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.

Responsibilities

• Execute and analyze advanced computational simulations (e.g., DFT, DFPT, MD) with a strong focus on predicting key properties for semiconductors, such as band gaps, defect levels, leakage currents, dielectric constants, and interfacial properties.
• Apply deep physical and chemical intuition to problems in semiconductor materials discovery, particularly understanding structure-property relationships at the atomic scale and at interfaces with semiconductors.
• Bridge the gap between theory and reality by using computational tools to identify semiconductor materials and working with experimentalists to synthesize them in the lab.

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 .

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