S.D.F.and J.L.acknowledge support from EPSRC under Grant No.EP/N005244/1 and also from the Thomas Young Center under Grant No.TYC-101.Via J.L.‘s membership of the UK’s HEC Materials Chemistry Consortium,which is funded by EPSRC(EP/L000202);this work used the ARCHER UK National Supercomputing Service.S.D.F.and J.L.acknowledge support from EPSRC under Grant No.EP/N005244/1 and also from the Thomas Young Center under Grant No.TYC-101.
Computational design can accelerate the discovery of new materials with tailored properties,but applying this approach to plasmonic nanoparticles with diameters larger than a few nanometers is challenging as atomistic...