PhD studentship in Predictable Mechanical Activation in Molecular Crystals

About the project

About the Project Applications are sought for a fully funded 3.5-year PhD studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the International Fine Particle Research Institute (IFPRI) and the Diamond Light Source (DLS) synchrotron facility. The available funding covers tuition fees at home rates , alongside an enhanced tax-free stipend above UKRI rates of approximately £24000/year. Background. Mechanochemistry has emerged as a transformative approach for sustainable chemical and materials synthesis,[1] removing the need for solvent, and named by IUPAC as a chemical technology that will change the world. Despite the immense interest in mechanochemistry, it is still a major challenge to control and design these sustainable processes, largely because mechanochemical transformations do not adhere to the same reactivity principles that are well developed for solution/gas-phase reactions. In particular, it is becoming increasingly clear that we must establish a more detailed understanding of the effect that mechanical processing (e.g., ball milling) has on the physical state of the reagents, and the impact that the physical state has on subsequent chemical reactivity.[2] We have recently shown that mechanical activation (the accumulation of energy in solid reagents prior to the reaction) can greatly influence the progress and outcomes of mechanochemical transformations.[3] Correspondingly, there is urgent need to better understand the process of mechanical activation in molecular crystals, with particular need to identify the magnitude of activation that can be achieved in different systems. Understanding this structure-property landscape will unlock entirely new dimensions for the predictable design of sustainable mechanochemical processes that will rapidly expedite the translation of mechanochemical technologies from academic laboratories into industrial settings. The project. This project will develop a new framework for designing mechanochemical reaction profiles in molecular crystals, with a particular focus on understanding the structural origins of mechanical activation and its impact on transformation rates. You will leverage state-of-the-art computational tools pioneered in our group to predict local mechanical properties in molecular crystals,[4] benchmarked against advanced atomic force microscopy measurements. Building on our group’s pioneering developments in time-resolved in situ powder diffraction,[5] you will establish a framework to link local and bulk mechanical activation effects, and evaluate how mechanical activation influences mechanochemical transformation kinetics. Working in the group of Dr Adam Michalchuk, in collaboration with Prof Giovanni Costantini (UoB) and Dr Xiaojiao Liu (DLS), you will gain hands-on experience in mechanochemistry, and materials characterisation through both computational modelling and advanced experimental techniques, including atomic force microscopy, X-ray diffraction and Raman spectroscopy. The successful candidate will undertake extended stays at the Diamond Light Source, contributing to the development of next-generation capabilities at the UK’s national research facility. Working in close cooperation with IFPRI, the candidate will engage with leading industrial partners, offering unique mentorship opportunities and the chance to translate fundamental research into industrial practice. The School of Chemistry and University of Birmingham. The School of Chemistry is housed in the new £85M molecular sciences building, housing state-of-the-art laboratory and office space. UoB houses a significant high-performance computing facility, available to this project. The candidate will join the Michalchuk group and the Birmingham Centre for Mechanochemistry and Mechanical Processing , the UK’s premier institute for mechanochemical research. The University of Birmingham was founded in 1900 on an anti-discrimination ethos accepting men and women on an equal basis. Today, as a community of over 150 nationalities in one of the UK’s most vibrant cities, we remain committed to promoting equality, diversity and fairness irrespective of age, disability, gender, pregnancy or marital status, race, religion or belief, sexual orientation or gender identity. The Diamond Light Source. Diamond Light Source (DLS) is the UK’s national synchrotron, providing academic and industry researchers access to facilities that enable world-changing science. DLS is based at Harwell, a research and innovation supercampus home to cutting-edge scientific instruments, institutes, businesses, and expert teams advancing knowledge and finding solutions. Founded in 1946 as a hub for pioneering technology, the Oxfordshire campus now hosts over 7,000 scientists, engineers, entrepreneurs, and technicians – all focused on solving complex problems. Proximity sparks unexpected collaborations, breaks down barriers, and connects ideas with people who can implement them, resulting in faster innovation and solutions that wouldn't emerge in isolation. The Candidate. Competitive candidates should have or expect to receive a first or upper second (2.1) honours degree (or equivalent) in chemistry, materials science, or other related discipline, and have a strong interest in materials characterisation and applications of national facilities research. Familiarity with solid-state chemistry/physics and X-ray diffraction would be advantageous. Inquiries/Applications. Interested candidates are encouraged to contact Dr Adam Michalchuk by email to discuss the position informally and should include a brief CV detailing their suitability for the role. Formal applications should be made through the University of Birmingham application portal, and include a CV and covering letter. Deadline. The post will remain open until a suitable candidate has been identified. Start date. The PhD project will begin in the autumn of 2026 (Sept/Oct) in line with UoB semester dates.

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