Dr Tim Hele

Research Fellow in Computational Chemistry

Dept of Chemistry

Faculty of Maths & Physical Sciences

Joined UCL
27th Jul 2020

Research summary

My research examines the quantum mechanical motion and structure of small and light particles such as the atoms and electrons in molecules and how physical properties such as reaction rates and spectra can be calculated for them. The research ranges from mathematical methodological development to applications in large multidimensional systems.

Highlights include the derivation of Quantum Transition-State Theory (2013), and being the theoretician on a team who discovered the world's most efficient organic light-emitting diode (Nature, 2018).

Teaching summary

Dr Hele lectures CHEM0028: Quantum Mechanical Methods in Computational Chemistry, teaches tutorials for CHEM0019: Physical Chemistry and supervises undergraduates for CHEM0027: Literature Review.


As an undergraduate at Oxford University Dr Hele read Chemistry, coming top of the year, followed by a PhD in theoretical chemistry at the University of Cambridge with Stuart Althorpe where together they derived quantum transition state theory, which had been claimed not to exist since the 1930s. On the basis of this research he was elected to a Research Fellowship at Jesus College, Cambridge, which was intermitted to research with Professor Nandini Ananth at Cornell University, where he investigated non-adiabatic dynamics and singlet fission for photovoltaic applications. Upon returning to Cambridge in 2017 he moved to the Cavendish Laboratory to research with Professor Sir Richard Friend, followed by a brief postdoc position with Dmitry Shalashilin at Leeds . He started at UCL as a Proleptic Lecturer in July 2020, and took up a Royal Society University Research Fellowship in October of that year.