Quantum chemistry: How to see atoms with a computer
Dr Simone Sturniolo, UKRI Rutherford Appleton laboratory
The amazing variety of all matter, natural or artificial, is born out of the fundamental bricks that are a few dozen elements. Crystallography is the experimental study of those solid materials in which atoms arrange themselves into ordered patterns, and how the properties we can see and touch emerge from those simple patterns. This is discovered by probing them with tools like X-rays, neutron beams and magnetic fields. Today, however, another tool helps us look into how atoms form macroscopic matter: computers. In this talk, you will learn about some of the ways in which computer simulations can allow us to model matter from the fundamental laws of physics, help us understand experiments, make predictions, and even discover new materials from scratch.
#Catalysis-and-chemistry #Quantum #Characterization-and-modelling #Modelling-and-simulation #LondonAndSouthEastBranch #IOPBranchEvents #public #lecture #Crystallography #London-and-South-East #Milton-Keynes