Center for Defect Physics

G. Malcolm Stocks

Dr. G. Malcolm Stocks is a Corporate Fellow and a Group Leader of the Materials Theory Group. His major research activities are in development and application of first principles electronic structure methods (particularly those based on multiple scattering Green's function methods), the theory of magnetism, alloy theory, semiconductor-oxide interfaces, and the application of parallel algorithms and computers to extend the size and complexity of systems amenable to treatment by first principles methods. His current research is focused on the theory of equilibrium and non-equilibrium properties of inhomogeneous itinerant magnets, magnetic nano-structures, the development of massively parallel methods for performing large scale first principles (LDA) calculations [in particular the order-N Locally Selfconsistent Multiple Scattering (LSMS) method] and their application to problems in magnetism, disordered alloys, and bulk amorphous metals. Other interests include the first principles theory of the electronic structure and energetics of substitutionally disordered systems [in particular the Korringa-Kohn-Rostoker Coherent-Potential Approximation (KKR_CPA) method], ordering mechanisms in alloys, and alloy phase stability.