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PhD Theses

Doctoral dissertations completed under the supervision of Prof. Reinhard J. Maurer

Our research group has supervised numerous doctoral students who have made significant contributions to computational surface science, machine learning, and molecular dynamics. Below is a list of completed PhD theses from our group.

Dr. Benedict Saunders

June 2025

Predicting the Structure and Stability of Compositionally Diverse Materials

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer

Dr. Matt Stoodley

January 2025

Growth and characterisation of defective graphene and its molecular precursors on copper

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Dr. David Duncan

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Dr. Joe Gilkes

September 2024

Chemical reaction discovery with Kinetica.JL : exploration and simulation of chemical degradation

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Prof. Scott Habershon

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Dr. Wojciech Stark

May 2024

Machine Learning Models for Gas-Surface Dynamics

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Prof. Scott Habershon

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Dr. Connor Box

January 2024

First Principles Simulation of Electronic Friction Effects in Dynamics at Metal Surfaces

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer

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Dr. James Gardner

August 2023

Simulation of Nonadiabatic Molecular Dynamics at Metal Surfaces

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Prof. Scott Habershon

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Dr. Daniel Corken

June 2023

Simulation of Nonadiabatic Charge Transfer During Molecular Scattering at Metal Surfaces

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Prof. Nicholas Hine

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Dr. Martin Lea

March 2023

Computational prediction of molecule-metal charge transfer dynamics in surface-mounted molecular switches

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer and Prof. Vas Stavros

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Dr. Shayantan Chaudhuri

December 2022

Computational Simulation of Metal Nucleation on Diamond Electrodes

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer

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Dr. Billal Sohail

October 2022

Computational Characterisation of Donor-Acceptor Molecules at Metal-Organic Interfaces

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer

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Dr. Samuel L. Hall

March 2022

Computational prediction of core-level spectroscopy of metal-organic interfaces to reveal chemical interactions, bonding and behaviours

University: University of Warwick

Supervisor: Prof. Reinhard J. Maurer

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Statistics

11
PhD Graduates
4
Years
5
Recent (2024+)