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Run computational simulations using DFT, DFPT, and MD to predict semiconductor properties like band gaps, defects, and interfacial behavior, then collaborate with experimentalists to validate findings. Requires a PhD in computational materials science, physics, chemistry, or related field, plus hands-on experience with first-principles methods and packages like VASP or Quantum ESPRESSO. Strong Python programming and ability to connect theoretical predictions to experimental discovery are essential.

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Job Description

  • 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.

Minimum qualifications:

  • 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.
  • 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.
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  • Role Semiconductor Material Science Research Scientist, DeepMind
  • Experience 3-4 years
  • Education PhD, or equivalent experience
  • Work type On-site
  • Location United Kingdom
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Google
AI Research Lab · 500+ Members · Mountain View, CA, United States

Google builds internet, software, cloud, and AI products used by consumers, developers, and organizations. Its portfolio includes Search, YouTube, Android, Chrome, Maps, Gmail, Workspace, Google Cloud, advertising platforms, devices, and Gemini AI products. The company develops large-scale computing infrastructure and research that power information retrieval, communication, productivity, media, navigation, and machine learning. Google is the largest operating business within Alphabet and earns a substantial share of its revenue from digital advertising.

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Job Overview
Eligibility
United Kingdom Right to work in the United Kingdom required.
Workplace
On-site
Job Posted:
3 days ago
Job Type
Full Time
Education
PhD, or equivalent experience
Experience
3-4 years

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