This week’s issue of PCCP is all about ‘Solid state and cluster structure prediction‘ – take a look today!
This exciting themed issue is Guest Edited by Scott M. Woodley and Richard Catlow, University College London, UK.
Prediction of the structures at the atomic level of molecules and materials remains one of the core challenges of chemistry. Computational chemistry and physics have given us powerful tools over the last few decades for accurate modelling of atomic level structures. But how far can we predict structures? That is, to what extent are we able, given knowledge of the chemical composition of a system, to identify reliably the thermodynamically stable structure?
This issue attempts to provide at least partial answers to this question by presenting a number of recent studies of the prediction of structures of both crystals and nanoparticles.
Want to read more about our upcoming themed issues? Please visit the ‘Themed Issues’ page on our website.
