Research Associate in Machine Learning for Materials Simulation, University of Cambridge, UK

Summary

The University of Cambridge’s Department of Physics (Cavendish Laboratory) is seeking a postdoctoral researcher to join the Theory of Condensed Matter group under Dr. Christoph Schran. The successful candidate will develop and apply machine learning methods—specifically machine learning interatomic potentials—to the atomistic simulation of amorphous and disordered materials.

Research Associate in Machine Learning for Materials Simulation (Fixed Term)

Designation

• Research Associate (or Research Assistant if PhD is submitted but not yet formally awarded)

Key Job Details

Research Area

• Field: Computational Physics, Materials Science, and Machine Learning
• Focus: Machine learning interatomic potentials (MLIPs), atomistic modeling of amorphous/disordered systems, molecular dynamics simulations, and high-performance computing.

Location

• Department of Physics, Cavendish Laboratory, West Cambridge, Cambridge, UK.

Eligibility / Qualifications

Essential:

• Holds (or is close to obtaining) a PhD in Physics, Chemistry, Materials Science, or a closely related discipline.
• Strong background in machine learning interatomic potentials, including model development, training, and validation.
• Robust scientific programming skills in Python and standard ML frameworks (e.g., PyTorch).
• Direct experience in simulating amorphous or disordered materials.

Desirable:

• Experience in generating reference training data using Density Functional Theory (DFT).
• Experience with High-Performance Computing (HPC) and GPU computing.
• Experience contributing to open-source scientific software.

Job Description & Responsibilities

• Develop and apply machine learning models tailored to amorphous and disordered materials.
• Manage the full ML modeling pipeline: reference dataset generation, model training, cross-validation, and error analysis.
• Conduct large-scale molecular dynamics (MD) simulations on national high-performance computing facilities.
• Actively collaborate with researchers in the Theory of Condensed Matter group and the wider Lennard-Jones Centre network.
• Help shape the strategic direction of the computational research project.

How to Apply

1. Online Application: Apply directly through the University of Cambridge / jobs.ac.uk application portal by clicking the Apply button on the listing.
2. Reference Number: Quote reference KA50805 on your application and in all correspondence.
3. Informal Enquiries:
   • Academic Inquiries: Contact Dr. Christoph Schran at cs2121@cam.ac.uk
   • Application Process Inquiries: Contact HR at hr@phy.cam.ac.uk

Last Date to Apply

• 13th September 2026

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