Two-dimensional (2D) materials, having a single-atom thickness, have already revolutionized science, and have the potential to revolutionize technology due to their unique electronic, optical, thermal, spin, and magnetic properties. Nobel prize was awarded in 2010 to Geim and Novoselov for 2D materials. Using 2D phosphorene, the presentation will demonstrate modeling of electronic properties using ultra-accurate stochastic Quantum Monte Carlo methods. These methods are among the few in this field suitable for exascale computing. 

Exascale supercomputers and exascale computing are likely fuzzy categories for a common man, as are electronic materials we are using in our daily lives. The presentation will in a simple way introduce modeling of properties of one particular perspective material (2D phosphorene) using quantum Monte Carlo methods which are predestined for exascale supercomputers and show results of such a modeling on pre-exascale supercomputers which required about 30 million corehours.