Research Scientist - Material Modelling at PhysicsX | London, England, GBR | Rezi

Research Scientist - Material Modelling at PhysicsX

Research Scientist - Material Modelling

PhysicsX · London, England, GBR

3 weeks ago

Research Scientist - Material Modelling

PhysicsX · London, England, GBR

25 days ago
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About the Role

PhysicsX is seeking individuals to join their deep-tech company, which is accelerating hardware innovation using AI-driven simulation software. The role involves applying machine learning techniques to solve complex problems in materials science and computational chemistry, with opportunities to influence research workstreams and contribute to production-ready pipelines.

Responsibilities

  • Work closely with a multi-disciplinary team to employ and advance state-of-the-art machine learning techniques for materials problems.
  • Develop and apply machine learning interatomic potentials (MLIPs) to model atomistic systems.
  • Design and run experiments on large-scale chemistry and materials datasets, iterating on model architectures.
  • Own research workstreams from model development through to evaluation on real-world materials problems.
  • Collaborate with the broader research team to ensure models are robust, reproducible, and translatable into production-ready pipelines.
  • Work on high-performance computing infrastructure for atomistic simulations and generative modelling.
  • Communicate work internally and externally through publications, workshops, and customer conversations.
  • Mentor colleagues with less experience in computational chemistry or materials ML.

Requirements

  • Enthusiasm for applying machine learning to real-world materials science and computational chemistry challenges.
  • Ability to scope and effectively deliver research projects, balancing rigour with pragmatism.
  • Strong problem-solving skills and ability to translate materials or chemistry challenges into computational formulations.
  • Excellent collaboration and communication skills with research colleagues, engineers, and customers.
  • Hands-on experience in using and fine-tuning at least one MLIP backend (e.g., MACE, FAIRChem/OCP) and integrating it into larger computational frameworks.
  • Direct experience with established chemistry and materials benchmark datasets (e.g., OC20, OC22, Materials Project).
  • Proficiency in Python.
  • Experience working in high-performance computing environments.
  • Experience contributing towards a large multi-module codebase.
  • Experience with generative models, preferably applied to molecular or materials systems.

Skills

  • Machine learning
  • Materials science
  • Computational chemistry
  • Machine learning interatomic potentials (MLIPs)
  • Python
  • High-performance computing (HPC)
  • Generative models

Location

  • Shoreditch office

Work Type

  • Hybrid

Experience Level

  • Multiple levels and positions
  • PhD

Education Level

  • PhD in computational chemistry, physics, materials science or a closely related field.

Benefits

  • Equity options
  • 10% employer pension contribution
  • Free office lunches
  • Enhanced parental leave (3 months full pay paternity, 6 months full pay maternity)
  • YellowNest nursery scheme
  • 25 days of Annual Leave (+ Public Holidays)
  • Private medical insurance (100% employee cover)
  • Wellhub Subscription
  • Eye tests
  • Personal development support
  • Employee Assistance Programme (EAP)
  • Bike2Work scheme
  • Season ticket loan
  • Octopus EV salary sacrifice

About the Company

  • PhysicsX is a deep-tech company with roots in numerical physics and Formula One, dedicated to accelerating hardware innovation at the speed of software.
  • We are building an AI-driven simulation software stack for engineering and manufacturing across advanced industries.
  • Our customers include leading innovators in Aerospace & Defense, Materials, Energy, Semiconductors, and Automotive.

Equal Opportunity

  • We value diversity and are committed to equal employment opportunity regardless of sex, race, religion, ethnicity, nationality, disability, age, sexual orientation or gender identity.
  • We strongly encourage individuals from groups traditionally underrepresented in tech to apply.
  • To help make a change, we sponsor bright women from disadvantaged backgrounds through their university degrees in science and mathematics.
  • We collect diversity and inclusion data solely for the purpose of monitoring the effectiveness of our equal opportunities policies and ensuring compliance with UK employment and equality legislation.
  • This information is confidential, used only in aggregate form, and will not influence the outcome of your application.