Condensed Matter Laboratory: new application for quantum simulation

TL;DR

The paper introduces Condensed-Matter-Laboratory (CML), a versatile, user-friendly software tool for simulating and analyzing properties of solids and nanostructures using advanced computational methods.

Contribution

It presents a new cross-platform application combining density functional theory and Green's function methods for condensed matter simulations.

Findings

Supports calculation of electronic, phononic, and thermodynamic properties.

Features a graphical user interface for ease of use.

Employs parallel processing for efficiency.

Abstract

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.