Quantum Device Modelling

Theory of Electron, Phonon and Spin Transport in Nanoscale Quantum Devices

We engineer the electrical, vibrational, magnetic and optical properties of molecular quantum devices for energy conversion, energy storage, computing and sensing applications.

Overview of Research Topics

Quantum Engineering of Advanced Materials and Devices: Nanoscale Electronic Devices, Transistors, Sensors and Applications, Theoretical and Computational Physical Sciences; Electrical, Vibrational, Magnetic and Thermal Properties of Nanoscale Devices; Semiconductor Physics

  • Nanoscale material modelling and discovery i.e. Quantum, phonon and spin transport; Environmental effects on transport e.g. biological interaction, chemical stimulus, electrochemical gating, photo effect, temperature gradient, electric and magnetic field effect

  • Molecular electronics i.e. Quantum and phonon interference; Energy harvesting e.g. Thermoelectricity and Piezoelectricity; Biological sensing; Transistors; Spintronic; Optoelectronics; Molecular electronic building blocks i.e. switches, transistors and rectifiers

  • One and two dimensional materials i.e. Van-der Waals heterostructures; Graphene electrodes and nanojunctions; Carbon Nanotube; Molecular graphene nanoribbons

  • Multiscale modelling i.e. Density functional theory; Computational quantum chemistry; Tight-binding modelling; Molecular dynamics; Quantum transport

  • GOLLUM: We co-develop the next generation uantum transport simulation tool: GOLLUM

Open Positions

We are looking for highly motivated postdoctoral researchers and PhD students. Visit vacancies page for more information.


The School of Engineering at the University of Warwick is ranked 5th in the UK for Engineering in The Guardian University League Table 2021. Warwick is a research intensive university ranked 6th in the UK in the Guardian 2022 league table, 61st in the QS World University Rankings 2022.