Personal profile

Research interests

Ab initio (using mainly density functional theory) and classical modelling of scanning-probe microscopy techniques with atomic resolution (STM and AFM); topography and dissipation in atomic force microscopy; hybrid quantum-mechanical methods in treating very large (e.g. biological) systems, chemical reactions and adsorption on surfaces; quantum-mechanical embedding; phonons calculations; manipulation of atoms and molecules using AFM/STM tips; non-equilibrium statistical mechanics; quantum transport;  theory of defects in solids; Generalised Langevin Equation; Kinetic Monte Carlo; graphene growth

Research interests (short)

STM & AFM modelling; embedding; KMC; self-assembly; non-equilibrium; stochastic processes; non-adiabatic

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being

Keywords

  • QC Physics

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