The Royce/CCP9 Science at the Interface Conference on Computational Modelling Advances in 2D Materials, Thin Films and Surfaces

The National Graphene Institute, the STFC Hartree Centre, CCP9, and the Henry Royce Institute will host The Royce/CCP9 Science at the Interface Conference on Computational Modelling Advances in 2D Materials, Thin Films and Surfaces at The National Graphene Institute, University of Manchester, Manchester, UK on Tuesday 13 November 2026.

Overview

This one-day research conference will bring together the computational materials community to explore advances in modelling flat interfaces across 2D materials, thin films and metal surfaces.

The programme will examine the physical interactions that occur at interfaces and the computational challenges involved in describing them with sufficient accuracy. Particular themes will include lattice mismatch and misaligned interfaces, scalable machine-learning interatomic potentials, prediction of vibrational and electronic structure, and computational approaches that can accelerate materials discovery and composition optimisation.

Invited talks, flash presentations and a panel discussion will create opportunities for researchers from academia and industry to exchange ideas, identify shared challenges and form new collaborations. The event will also highlight how advances in computational modelling can contribute to major materials challenges, including carbon capture, alternatives to persistent chemicals and more efficient solar-energy materials.

Who should attend

The conference is aimed at researchers and academics working in computational materials science, condensed-matter physics, chemistry and related disciplines. It will also be relevant to industrial researchers and small technology companies interested in modelling-led materials development.

The programme will be particularly useful for those working on 2D materials, thin films, surfaces, catalysis, electronic-structure methods, atomistic simulation and machine-learning approaches to materials modelling.

Event programme

09.00-09.40: Arrival and registration

09.40-10.00: Welcome and introduction

10.00-10.30: Invited talk 1

10.30-11.00: Invited talk 2

11.00-11.30: Coffee and networking

11.30-12.00: Invited talk 3

12.00-12.30: Invited talk 4

12.30-13.30: Lunch

13.30-14.00: Invited talk 5

14.00-14.30: Invited talk 6

14.30-15.00: Coffee and networking

15.00-15.45: Flash talks

15.45-16.30: Panel discussion

16.30-17.00: Closing remarks

Confirmed invited speakers:

• Richard Catlow (Cardiff University)
• Gábor Csányi (University of Cambridge)
• Misbah Sarwar (Johnson-Matthey)
• Steven Stanley (Light Coatings Limited)
• Mara Strungaru (University of Manchester)

Conference themes

• Computational modelling of 2D materials, thin films and metal surfaces
• Structure, dynamics and electronic properties at material interfaces
• Lattice mismatch, moiré systems and misaligned interfaces
• Machine-learning interatomic potentials and scalable atomistic simulation
• Electronic-structure methods beyond the scope of interatomic potentials
• Modelling-led materials discovery for sustainable technologies
• Academic-industry collaboration and opportunities for translation

Cost and registration

Attendance is free of charge. Places will be limited and advance registration will be required. Registration link will be provided below when registration opens.

About the organisers

The event is being developed collaboratively by the National Graphene Institute (James McHugh and Vladimir Fal’ko), the STFC Hartree Centre (Samuel J. Magorrian, Lara Kabalan, and Viktor Zólyomi) and the Henry Royce Institute. It is co-funded by CCP9 and the Henry Royce Institute.