This team focuses on advantages offered by peta-scale high performance computing (HPC) for advancing materials modelling. Recently new developments have been made in computational technologies for processing experimental and modelled/simulated data, which are expected to provide platform (computational environment) for solving large-scale computational demanding problem such as those involved in modeling of new materials and processes.
Many phenomena in materials have a complicated multi-variable nature, which typically requires the use of various-scale models, with the uncertainty related to transferring of variables between the scales. Additional empirical information is often necessary to achieve realistic solutions. The analysis of data quality from different empirical databases is a cumbersome procedure, which often delays the speed of simulations.
Materials modeling will benefit from recent advances in HPC by a closer collaboration between the community of modelers and the community of computer scientists who can develop specific computing architecture that meets the needs of material modelers.
Last updated: July 17 2016 07:57:57 PM by H. Iliev or S. Pisov