Markus Eisenbach

Dr. Eisenbach’s research is focused on computational approaches to condensed matter physics and material science on an atomistic scale. His main expertise lies in ab initio calculations of magnetic properties of materials and alloys. He also develops and applies methods for classical models and classical Monte-Carlo methods. He is one of the main developers of the LSMS electronic structure code that enables the utilization of large-scale computational facilities to address problems beyond the reach of other codes. He has authored the original relativistic version of this code and he devised the Wang-Landau LSMS method that combines first principles calculations with classical statistical mechanics to calculate the thermodynamics of magnetic and alloy phase transitions using density functional theory. Resent work includes the application of data analytics and machine learning methods to the accelerated evaluation of first principles based statistical mechanics of solid-state systems. Additionally, as member of the Scientific Computing group at the NCCS, he provides user liaison for a variety of material science projects ranging from classical simulations to both DFT and Quantum Monte Carlo based calculation.