Semiconductor Materials Scientist - Computational & ML

WeAreTechWomen; United Kingdom; On-site; GBP 70,000 - 95,000; Full time

Job summary

Google DeepMind is seeking a highly skilled researcher to drive computational materials discovery. You will lead DFT/DFPT and MD simulations to predict properties of semiconductor materials and interfaces across graduate-level challenges.

Collaboration with experimental teams will link theory with lab synthesis, advancing AI-driven materials science. The role emphasizes bridging computational prediction with real-world experiments, leveraging Python-based workflows and HPC resources in a

Qualifications

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

Responsibilities

• Execute and analyze advanced computational simulations (DFT/DFPT/MD) focusing on semiconductor properties.
• Apply physical and chemical intuition to structure-property relations at the atomic scale and at interfaces.
• Bridge theory and experiment by collaborating with experimentalists to identify materials.

Skills

Python

DFT/DFPT

Materials simulation

Data analysis

Workflow automation

Education

PhD in Computational Materials Science or related field

Tools

VASP

Quantum ESPRESSO

Job description

Google DeepMind is seeking a highly skilled researcher to drive computational materials discovery. You will lead DFT/DFPT and MD simulations to predict properties of semiconductor materials and interfaces across graduate-level challenges.

Collaboration with experimental teams will link theory with lab synthesis, advancing AI-driven materials science. The role emphasizes bridging computational prediction with real-world experiments, leveraging Python-based workflows and HPC resources in a