PhD Studentship - Supramolecular Host Engineering for Enhanced CWA Capture and Neutralisation
University of Birmingham
Applications are sought for a fully funded PhD 3-year studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). Background. We focus on a class of materials termed molecular capsules (doi.org/10.1039/D4CS00761A) that have potential applications as supramolecular hosts for sensing, separations and catalysis. Computational chemistry allows the design and discovery of new molecules and theoretical understanding....
Applications are sought for a fully funded PhD 3-year studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). Background. We focus on a class of materials termed molecular capsules (doi.org/10.1039/D4CS00761A) that have potential applications as supramolecular hosts for sensing, separations and catalysis. Computational chemistry allows the design and discovery of new molecules and theoretical understanding....
Opportunity details
Applications are sought for a fully funded PhD 3-year studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). Background. We focus on a class of materials termed molecular capsules (doi.org/10.1039/D4CS00761A) that have potential applications as supramolecular hosts for sensing, separations and catalysis. Computational chemistry allows the design and discovery of new molecules and theoretical understanding. This is especially important when studying the behaviour of sensitive chemicals, like chemical warfare agents (CWAs), allowing for safe working outside of the lab. However, it is currently poorly understood how to model the interaction of CWAs with supramolecular hosts with respect to their encapsulation and destruction. Further, designing a supramolecular entity that effectively and selectively captures − and subsequently destroys − a CWA is an inherently multi-dimensional problem, requiring high-throughput computational approaches for practical usage. The project. This project will develop a physics-informed computational workflow for the discovery of novel supramolecular host systems capable of effectively capturing and catalysing the decomposition of chemical warfare agents (CWAs). Working across the groups of Dr Andrew Tarzia and Dr Adam Michalchuk, and in collaboration with the scientists at Dstl, you will develop low-cost quantum mechanical approaches to modelling the effect of non-covalent interactions on bond decomposition (pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp00852b), and the workflows to implement such interactions into supramolecular hosts (pubs.rsc.org/en/content/articlelanding/2022/cc/d2cc00532h). You will learn a wide range of mole...
Eligibility
Additionally, you will gain research and communication skills, including a strong emphasis on integrating computational and experimental chemistry. Additional training in a wide range of soft and hard skills is available at the University. The candidate will join the Tarzia Research group (tarziaresearchgroup.github.io) and the Michalchuk group (www.michalchukgroup.com/home). Competitive candidates should have or expect to receive a first or upper second (2.1) honours degree (or equivalent) in chemistry, materials sciences, or other related discipline, and have a strong interest in computational chemistry.
Requirements
Additionally, you will gain research and communication skills, including a strong emphasis on integrating computational and experimental chemistry. Additional training in a wide range of soft and hard skills is available at the University. The candidate will join the Tarzia Research group (tarziaresearchgroup.github.io) and the Michalchuk group (www.michalchukgroup.com/home). Competitive candidates should have or expect to receive a first or upper second (2.1) honours degree (or equivalent) in chemistry, materials sciences, or other related discipline, and have a strong interest in computational chemistry.
Funding and benefits
Funding eligibility: UK Students. Due to the available funding, the position is suitable for candidates eligible for home student rates. The position carries an enhanced tax-free stipend above UKRI rates of approximately £26,000/year, subject to annual inflationary increase.
How to apply
Applications are sought for a fully funded PhD 3-year studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). We focus on a class of materials termed molecular capsules (doi.org/10.1039/D4CS00761A) that have potential applications as supramolecular hosts for sensing, separations and catalysis. As MOD science and technology leaders, Dstl provides expert advice, analysis and capability across a wide range of applications including energetic materials, platform systems, cyber and chemistry, fulfilling our responsibility to further technological advances in UK sovereign capabilities and support to UK defence.
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Benefits
Funding eligibility: UK Students. Due to the available funding, the position is suitable for candidates eligible for home student rates. The position carries an enhanced tax-free stipend above UKRI rates of approximately £26,000/year, subject to annual inflationary increase.
Eligibility summary
Requirements
Additionally, you will gain research and communication skills, including a strong emphasis on integrating computational and experimental chemistry. Additional training in a wide range of soft and hard skills is available at the University. The candidate will join the Tarzia Research group (tarziaresearchgroup.github.io) and the Michalchuk group (www.michalchukgroup.com/home). Competitive candidates should have or expect to receive a first or upper second (2.1) honours degree (or equivalent) in chemistry, materials sciences, or other related discipline, and have a strong interest in computational chemistry.
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