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Researchers from the University of Cambridge, University College London, Imperial College London and Charles University in Prague have developed a powerful machine learning based procedure for molecular simulations of complex systems. The results, reported in the journal PNAS, open the…

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…

In the last decade researchers have realised that simply shaking a collection of quantum particles can give rise to new phases of matter without any counterparts in undriven equilibrium systems. However, most of these are rather delicate and require a…

Today’s quantum computers are small and noisy. Hybrid quantum-classical algorithms aim to make use of these limited devices by pairing them with classical computing and assigning specialized tasks to the quantum hardware (e.g. measuring the energy expectation value of a…

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…