We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...
In this paper we adopt a component model based on object-oriented systems, introducing the concepts of components and their structure. A component consists of a dynamically changi...
Significant advances have been made in the last two decades for the effective solution of mixed integer non-linear programming (MINLP) problems, mainly by exploiting the special s...
Analysis of biological data often involves large data sets and computationally expensive algorithms. Databases of biological data continue to grow, leading to an increasing demand ...
Abstract. In our research we are studying how to combine modelling, metamodelling, and reflection to systematically generate middleware configurations that can be targeted at diffe...
Nelly Bencomo, Gordon S. Blair, Geoff Coulson, Tha...