Quantum theory is the key to understanding matter. But the key is hard to use. We need to do calculations on large assemblies of nuclei and electrons. Quite a long time ago, Nobel laureate Walter Kohn discovered a wonderfully effective way of doing these calculations -- density functional theory (DFT). With the power of high-performance computing, DFT is leading to revolutionary progress in many sciences, including physics, chemistry, the earth sciences and biology. 

In the virtual matter laboratory, we are using DFT and other techniques to tackle a variety of important and interesting problems, ranging from the temperature in the Earth's core to the properties of semiconductor surfaces. We're also developing completely new techniques, for example techniques for applying DFT to very large systems, and for using it to calculate thermodynamic properties. 

Follow the links to find out more about the people working in the VML, Ph.D. opportunities, the research projects we are working on, and our publications. If you are interested in computers, you might like to know about the massively parallel facilities in UCL's HiPerSPACE Centre.