Winner: 2025 Faraday mid-career Prize: Bourke-Liversidge Prize
Professor Thomas Penfold
Newcastle University
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2025 Faraday mid-career Prize: Bourke-Liversidge Prize awarded for contributions to the theory of the excited state dynamics and time-resolved spectroscopy of functional organic and metal-organic systems.
The Penfold Research Group pioneers the development and application of advanced computational techniques to investigate chemical dynamics at atomic scale of length (Angstrom) and time (femtosecond).
Their work centres on elucidating processes occurring in electronically excited states, particularly those initiated by light absorption鈥攊.e. photochemical reactions. By solving complex equations, the group aims to deepen our understanding of these fundamental processes occurring in electronically excited states.
Where possible, the group seeks integration of theoretical simulations alongside experimental spectroscopy. This synergy enables the extraction of quantitative insights from ultrafast experiments, enhancing the interpretation of spectroscopic data and advancing the field of photochemistry.
One of the group's focal areas is the study of intersystem crossing mechanisms in molecules. Their research demonstrating the coupled role of electronic, nuclear and spin degrees of freedom has significant implications for the development of molecular emitters exhibiting thermally activated delayed fluorescence (TADF), a key aspect in the performance of emerging organic light-emitting diodes (OLEDs).
Biography
Thomas Penfold is professor of computational and theoretical chemistry at Newcastle University. Born in Oxford, he studied chemistry as an undergraduate at the University of Birmingham, graduating in 2006. He then pursued a PhD in chemistry under the supervision of Graham Worth, completing it in 2010. Following his PhD, he joined the group of Majed Chergui at EPFL, and later joined the SwissFEL project at the Paul Scherrer Institute. In 2015, he was appointed Lecturer in computational chemistry at Newcastle University and was promoted to Professor in 2022.
The Penfold Research Group develops and applies novel computational techniques to study chemical dynamics on atomic length (Angstrom) and time (femtosecond) scales, with a particular focus upon processes occurring in electronically excited states. The simulations are often used to predict or interpret time-resolved experiments, particularly in the X-ray regime.
A key aim of the group is to use the detailed simulations to derive design principles that can guide the development of functional materials and molecules, for example the spin-vibronic mechanism underlying thermally activated delayed fluorescence.
For me, the most rewarding aspect of science is the opportunity to engage with others 鈥� sharing ideas, tackling difficult problems together, and achieving more collectively than we ever could alone.
Professor Thomas Penfold
Q&A with Professor Thomas Penfold
How did you first become interested in chemistry?
I was always interested in chemistry and physics at school. I suppose my dad being a scientist and the 2013 Sir Eric Rideal Award winner contributed to that. I didn't really become interested in scientific research until my final year of undergraduate, with my research project with Professor Graham Worth. I was terrible in the lab, so doing computational research really appealed and clicked.
Tell us about somebody who has inspired or mentored you in your career
My dad: I always grew up around science but also saw the variety and interest of the job including travelling! When I was younger the idea of getting a job or going to a conference anywhere in the world was very appealing.
Professor Majed Chergui: my first PDRA and moving abroad was a big step. Majed opened a whole new world of science and being an experimentalist encouraged and supported the close work between experiment and theory. He was extremely supportive and perhaps embarrassingly forced me to improve my language skills 鈥� having someone who spoke six languages be better at writing English gave me a kick up the backside!
What motivates you?
Interest and the challenge! Our research ideas and vision often stem from a deep interest in a particular area of science. However, making progress is rarely straightforward 鈥� it's challenging and often non-linear. On difficult days, it can be frustrating when things don't go well, but those moments are more than compensated for when a breakthrough or meaningful result is achieved.
What advice would you give to a young person considering a career in chemistry?
A career in chemistry research is incredibly rewarding, but it's worth remembering that it's a bit like being a high-jumper 鈥� every success raises the bar, and eventually, you鈥檒l miss. The key is to enjoy the successes when they come, and to treat the setbacks not as failures, but as stepping stones to the next breakthrough. With that mindset, the journey can be a lot of fun.
Can you tell us about a scientific development on the horizon that you are excited about?
With recent advances in the theoretical treatment of excited-state processes and rapid progress in ultrafast spectroscopy, this is an especially exciting time for experiment and theory to converge. Together, they can drive a deeper understanding of the factors that govern photochemical and photophysical behaviour 鈥� paving the way toward the development of design rules analogous to the well-established principles that chemists use to rationalise ground-state reactivity.
Such progress would be transformative for the rational design of molecules and materials across a wide range of applications, including photocatalysis, solar energy conversion, biological imaging, and the sustainable synthesis of chemicals and pharmaceuticals. It would also open new understanding in atmospheric chemistry, where photochemical processes play a vital role in determining air quality and influencing climate change.
What has been a challenge for you (either personally or in your career)?
Applying for independent positions is demanding 鈥� each application is bespoke and requires significant time and effort. This is often compounded by the pressure of a contract nearing its end. The process is highly competitive, and rejections can be demoralising. However, with each unsuccessful attempt, there鈥檚 an opportunity to reflect, learn and refine your approach. In hindsight, those rejections have played a valuable role in shaping my career, even if it didn鈥檛 feel that way at the time.
What does good research culture look like/mean to you?
A good research culture fosters an environment that actively supports curiosity, collaboration, integrity and personal growth. It goes beyond simply producing results 鈥� it鈥檚 about how we work together, how we treat one another, and how we build knowledge as a collective. At its core, it involves cultivating strong, supportive communities that can challenge and inspire each other in constructive ways. This kind of environment not only drives individual development but also accelerates progress across all research fields.
Why do you think collaboration and teamwork are important in science?
Today鈥檚 most pressing scientific challenges are too complex to be solved by individuals working in isolation or within a single discipline. Collaborative, interdisciplinary efforts are essential for meaningful progress. For me, the most rewarding aspect of science is the opportunity to engage with others 鈥� sharing ideas, tackling difficult problems together, and achieving more collectively than we ever could alone.
What is your favourite element?
Rhenium! We had a project studying a rhenium complex and it was a real pain, so I became a bit overfocused on rhenium for a while!