Condensed Matter Laboratory: new application for quantum simulation

Mohammad Nakhaee, S Ahmad Ketabi, Saeed Amiri, M Ali M Keshtan, Mahmoud Moallem, Elham Rahmati, M Taher Pakbaz

Published 2016-05-27Version 1

The purpose of this paper is to introduce Condensed-Matter-Laboratory (CML) application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in tight-binding approximation to calculate phononic and spin dependent or independent electronic properties of different systems. Also, it can be used for calculating thermodynamic properties of solids and nanostructures using statistical mechanics. The CML is a cross-platform application with a graphical user interface design that is user-friendly and easy to work with. This application is written in c++ and fortran and has parallel processing ability. To show flexibility of this application some reasons are presented.