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Understanding electronic excitations and light–matter interactions from first principles
We develop advanced theoretical and computational methods to understand the electronic and optical properties of materials at the atomic scale.
Our research spans quantum materials, plasmonics and surface science, with a particular focus on electronic excitations, light–matter interactions and the properties of surfaces and interfaces.
By combining first-principles calculations, many-body perturbation theory and the power of supercomputers, we uncover fundamental physical mechanisms and explore new opportunities for applications in energy conversion, sensing and quantum technologies.
Featured Research
Excitons in twisted 2D materials
We develop atomistic and many-body approaches to understand excitons in twisted two-dimensional materials. Our research reveals how moiré superlattices modify electronic and optical properties, opening opportunities to engineer light–matter interactions in quantum materials.
Understanding oxide surface through XPS
We develop first-principles methods to predict X-ray photoelectron spectroscopy (XPS) spectra of oxide surfaces. By connecting spectral features to atomic structures, defects and adsorbates, we help interpret experiments and understand surface chemistry relevant to catalysis and sensing.
Plasmonics and molecular interfaces
We investigate how light interacts with metallic nanostructures and generates energetic electrons and holes. Our microscopic theories reveal how adsorbed molecules influence plasmon decay and energy transfer, providing fundamental insights into plasmon-driven chemistry and photocatalysis.
Join our research group
We are always interested in hearing from talented and motivated researchers who are passionate about computational materials science, electronic excitations and light–matter interactions.
Our group offers opportunities to work on fundamental scientific questions using advanced theoretical methods and high-performance computing, in a collaborative and international research environment at Imperial College London and the Thomas Young Centre for Theory and Simulation of Materials.
Interested in joining us? We welcome enquiries from prospective PhD students, postdoctoral researchers and visiting researchers. Please get in touch to discuss potential opportunities.
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