Extreme Quantum Mechanics in MATLAB

The Spinach Toolbox is a fast open-source spin dynamics simulation library written in MATLAB^® that enables thousands of researchers worldwide to run quantum mechanical modelling of magnetic systems. This toolbox is developed by the Spin Dynamics Group at Southampton and makes extensive use of both parallel computing and sparse matrix arithmetic on GPUs to simulate microscopic magnetic processes. The package solves Liouville - von Neumann equation (an extension of Schrodinger's equation to ensembles), whose general solution is known but can be very hard to compute because complexity scaling is exponential. The way forward is to approximate using linear scaling methods. This presentation gives a few examples of these extreme scale simulations and discusses their implementation in parallel MATLAB.