Group Leader

Dr Felix Plasser

Felix completed his PhD in 2012 in Vienna with Prof. Hans Lischka. Subsequently, he spent two years in Heidelberg with Prof. Andreas Dreuw. He returned to Vienna in 2015 for his second postdoc with Prof. Leticia González. In 2018 he was appointed as Lecturer in Physical and Computational Chemistry at Loughborough University. He was promoted to Senior Lecturer in 2023.

When not at work he enjoys running, hiking, and paddle boarding.

Staff pageORCIDWoSGoogle Scholar


Dr Patrick Kimber

Patrick joined the group as a PhD student in October 2019, studying how novel computational approaches can aid our understanding of molecular excited states beyond the frontier molecular orbital picture. Following the completion of his PhD in November 2022, he accepted a postdoctoral position in the group to work on the modelling of energetic materials.

Outside computational chemistry, Patrick enjoys playing tennis and darts, and supports Liverpool FC.

Project: Machine-learning materials properties.


Dr James Mattock

James completed his PhD in the group of Dr Alfredo Vargas at the University of Sussex in 2018 (focus on small molecule DFT on molecules with esoteric electronic states). Subsequently he worked as a postdoc at the University of Portsmouth in the group of Prof. Paul Cox (focus on periodic DFT and Molecular Mechanics/Dynamics designing materials for MTO).

Co-supervision with Dr Kenny Jolley.

Project: Materials modelling and crystal structure prediction.

PhD students

Dong Xing

Dong obtained his BSc from the University of Reading, where he studied a novel Rhenium quinone complex with Prof. Frantisek Hartl in 2021. In 2022, he finished his MSc project, a computational study on a flavin-based enzymatic uracil monooxygenation, under the supervision of Prof. Sam Hay in Manchester. In April 2023 he joined the group as a PhD student.

Outside chemistry, he enjoys cooking, raising dogs and watching animation.

Project: Exploration of excited-state aromaticity for the development of new photoactive molecules.

Umatur Rehman

Umatur got her M.Phil degree from Government College University Faisalabad, where she studied the mechanism of selected Diels-Alder reactions by using DFT, under the supervision of Prof. Dr. Asim Mansha. She joined the group as a PhD student in October 2023. She is motivated to learn computational chemistry and explore its applications in a range of fields for the betterment of humanity.

Project: Optimisation of luminescent Europium complexes used as biosensors.

James Turner

James completed his MChem at Loughborough University doing his Masters project with Felix, studying the electronic transfer properties of photo-redox catalysts derived from macrocycles. He is now part of the Sustainable Hydrogen CDT where he will continue his study into the splitting of water for hydrogen production using conjugated macrocycles.

In his spare time James likes to play football and tennis.

Project: Photochemical water splitting based on charge accumulation in macrocycles

Joe Anslow

Project: Coupling of lithiated intermediates for chiral cataysis.
Co-supervision with Prof. Andrei Malkov

Project Students

Jack Glenn

Project: Design of antenna molecules for lanthanide complexes

Farnoush Fathalian

Project: Nucleophilic substitution reactions in bicyclo-pentane

Abas Ukanga

Project: Prediction of crystalline densities using machine learning techniques

Previous Members

Hugh Powell
Project: In-silico design of luminescent molecules.

Josiah Riley MChem
Project: Computational Analysis of Pd-catalysed reactions.

Luke Russell MChem
Project: Computational Optimisation of Antenna Triplet State Energy for lanthanide probes.

Issie Watt MChem
Project: Detailed insight into excited-state electronic wavefunctions.

Tianhui Yu MSc
Project: Computational Investigation of Aromaticity in Macrocycles.

Dylan Morgan MChem
Project: Visualisation of aromaticity in macrocycles.
View his computer code on github

Hamid Matari MSc
Project: Computational modelling of the synthesis of the antibiotic basidalin.

Xinyi Wang MSc
Project: Modelling of anion binding to Europium complexes.

Kathryn M. Stell MChem
Project: Computational investigation of the electronic structure of aggregation induced emitters.

Lewis E. Freeman MChem
Project: Photodynamics simulations of nucleobase analogues.

Rhys Francis MSc
Joint Masters’ supervision with Dr. Stephen Butler

Previous Mentees

Dr Maximillian F. S. J. Menger
Supervisors: Prof. B. Mennucci (Pisa), Prof. L. González (Vienna)

Dr Stefanie A. Mewes
Supervisor: Prof. A. Dreuw (Heidelberg)