Research Topics

Click on the title (or image) of each section to see a list of selected publications.


Theory Development

image Theoretical models provide insight into fundamental processes involved in chemical and physical phenomena. Analytical theories with universal relevance to a variety of problems with different physical origins are essential tools of theoretical chemistry.


Electrostatic Interactions at the Nanoscale

image We study electrostatic interactions between charged dielectric particles, which underpin a variety of phenomena such as electrostatic charging of pharmaceutical powders during manufacture and handling; the charge scavenging in the formation of solar systems; self-assembly of charged particles in solutions. Other application areas include interactions of aerosol and water droplets, and suspensions of colloidal particles.


Transformation of Nanostructure under the Electron Beam: Atomic Imaging and Computational Modelling

image High-resolution transmission electron microscopy experiments correlated with quantum chemical modelling demonstrate that a variety of structure transformations take place under the electron beam irradiation. Understanding of the transformation routes, the dynamics and the effect on properties of nanostructures is the key to control of chemical functionality and practical applications of nanomaterials.


Behaviour, Properties and Manipulation of (Nano)materials

image The behaviour and properties of nanomaterials are rarely similar to those of ideal isolated bulk material. Computational modelling plays an important role in determining these changes at the nanometer scale. It guides experimental efforts towards economical and feasible design of new materials.


Gas Storage in Porous Solids

image We study new generations of multi-functional porous materials for hydrogen and gas storage, selectivity and purification, for carbon capture and chemical reactivity, and for applications in sensing.