South London Innovative Materials Evaluation Squad

Computational Materials Science • London South Bank University

Welcome to the SLIMES Research Group GitHub organisation! We are a computational materials science research lab led by Dr John Buckeridge at London South Bank University. Our group focuses on advancing materials modelling and simulation using computational techniques and emerging AI approaches to enable optimised, sustainable technologies for future demands.

At the intersection of physics, chemistry, and computer science, we utilise state-of-the-art computational tools to gain insights across diverse areas - from defects and charge transport to functional materials design. We integrate machine learning and artificial intelligence methods to enhance efficiency and discovery in our pursuit of materials innovations.

• Defects in Semiconductors: Understanding charge carrier interactions with defects in crystalline systems
• Energy Materials: Materials for sustainable energy applications and high-power microelectronics
• Machine Learning for Materials: AI-driven approaches for materials discovery and property prediction
• Density Functional Theory: Advanced computational modeling and simulation
• Sustainable Technologies: Materials research for environmental applications

Visit our official website: slimeslab.github.io

Our website features:

• Research topics and methodologies
• Team members and collaborators
• Publications and news updates
• Interactive galleries and resources
• Open positions and opportunities

Dr. John Buckeridge - Principal Investigator

• Senior Lecturer in Thermofluids and Turbomachinery
• School of Engineering, London South Bank University
• 📧 [email protected]
• 🌐 Personal Website
• 🎓 Google Scholar

Our research leverages cutting-edge computational tools and frameworks:

• Simulation Software: VASP, Quantum Espresso, VESTA
• Programming Languages: Python, JavaScript, FORTRAN
• Machine Learning: TensorFlow, PyTorch, scikit-learn
• Visualisation: VESTA, Matplotlib, custom web-based tools
• High-Performance Computing: University HPC clusters

• 75+ Research Publications
• 5,500+ Citations
• 5+ Group Members
• Multiple International Collaborations

We maintain active collaborations with leading research institutions worldwide, including partnerships with:

• Materials Chemistry Consortium (MCC)
• Thomas Young Centre (TYC)
• The Royal Society of Chemistry
• QEVEC Research Network
• D-Wave Systems

• 🌐 Website: slimeslab.github.io
• 📧 Email: [email protected]
• 🔬 ResearchGate: SLIMES Lab
• 💼 LinkedIn: Dr. John Buckeridge

London South Bank University
T703 Tower Block, Division of Mechanical Engineering
103 Borough Road
London, SE1 0AA, UK

We welcome talented students at all levels:

• PhD Positions: Computational materials science projects
• Master's Projects: Materials modeling and simulation
• Bachelor's Thesis: Introduction to computational research

• Postdoc Opportunities: Advanced research positions available
• Visiting Scholars: Collaborative research visits welcomed
• Industry Partnerships: Technology transfer and joint projects

• Open Source: Contributing to materials science software
• Web Development: Enhancing research visualization tools
• Machine Learning: AI applications in materials discovery

Check our Open Positions page for current opportunities.

Our repositories are organised into several categories:

• Materials modelling simulations
• Machine learning models for property prediction
• DFT calculation workflows
• Data analysis and visualisation tools

• Custom analysis scripts
• Workflow automation tools
• Research infrastructure code

Our approach combines:

1. Literature Review: Vigorous survey of existing knowledge
2. Computational Modeling: 3D materials structure modeling
3. Simulation & Analysis: Advanced computational techniques
4. Machine Learning: AI-enhanced discovery and prediction
5. Validation: Experimental collaboration and verification

Unless otherwise specified, code in our repositories is available under open source licenses. Please check individual repository licenses for specific terms.

Website & Branding: © 2025 SLIMES Research Group, London South Bank University. All Rights Reserved.

We gratefully acknowledge support from:

• London South Bank University
• UK Research and Innovation (UKRI)
• European Research Funding Programs
• Industry Partners and Collaborators

Built with ❤️ for advancing materials science through computational modelling and AI-driven approaches.

For more information, visit our website or contact Dr. John Buckeridge at [email protected]