Electrically Induced Dirac Fermions in Graphene Nanoribbons
https://pubs.acs.org/doi/pdf/10.1021/acs.nanolett.1c03596
THOMAS YOUNG CENTRE
THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES
THOMAS YOUNG CENTRE
THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES
Category Uncategorised
Orthogonal Quantum Many-Body Scars
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.150601
Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme
Here, the group of Jochen Blumberger contributed the the modelling and molecular interpretation of ultrafast pump-probe spectrocopy experiments carried out by collaborators at the University of East Anglia. The team reports exceptionally high rates for heme-to-heme electron transfer, on the…
Impact of nanoscale morphology on charge carrier delocalization and mobility in an organic semiconductor
https://onlinelibrary.wiley.com/doi/10.1002/adma.202104852
Machine learning potentials for complex aqueous systems made simple
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…
High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design
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…
Direct visualization of superselective colloid-surface binding mediated by multivalent interactions
https://www.pnas.org/content/118/36/e2106036118/tab-article-info
Rigorous Bounds on the Heating Rate in Thue-Morse Quasiperiodically and Randomly Driven Quantum Many-Body Systems
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…
Variational quantum algorithm with information sharing
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…
Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn2SbS2I3
Perovskite-inspired materials aim to replicate the optical and electronic performance of the famous lead-halide perovskites, while eliminating issues with stability and toxicity. In this work, we focused on an emerging material in the class of mixed-metal chalcohalides; Sn2SbS2I3, which recently…