The research groups of the Thomas Young Centre frequently publish important advances that are of interest to a wide multi-disciplinary audience. The items on our "Science Highlights" pages are short summaries of some of these advances, usually based on publications in high-impact journals.

High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design.png

Molecular cages have potential as enzyme-mimics and in applications such as catalysis, drug-delivery and sensing.  Recently, chemists have attempted to introduce more complexity into their structures in an attempt to emulate Nature's success with proteins and enzymes. However, it can be difficult for researchers to design complex cages from scratch.

Variational quantum algorithm with information sharing.jpg

In this work we introduce a hybrid algorithm whose goal is to efficiently obtain multi-dimensional energy surfaces of physical systems with many degrees of freedom.

First-principles design of a single-atom–alloy propane dehydrogenation catalyst.jpg

This work was part of a long-term collaboration between the groups of Charles Sykes (Tufts University), Angelos Michaelides (former TYC Director and Professor at UCL, now at the University of Cambridge) and Michail Stamatakis (UCL).

Notably, this collaboration was fostered at a TYC Soirée back in September 2012 and has led to significant advancements in our understanding of SAA catalysts. It has further delivered catalyst formulations that could address current inefficiencies in the catalyst industry and could result in large economic and environmental payoffs.


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