TL;DR
TBTK is a versatile software toolkit designed for quantum mechanical calculations, facilitating the development and integration of various solvers for complex quantum problems.
Contribution
It introduces a flexible, scalable software development kit with specialized data structures for second-quantized quantum calculations, supporting diverse solver development and integration.
Findings
Supports development of new quantum solvers
Enables integration of existing quantum packages
Provides scalable data structures for second-quantization
Abstract
TBTK is a software development kit for quantum mechanical calculations and is designed to enable the development of applications that investigate problems formulated on second-quantized form. It also enables method developers to create solvers for tight-binding, DFT, DMFT, quantum transport, etc., that can be easily integrated with each other. Both through the development of completely new solvers, as well as front and back ends to already well established packages. TBTK provides data structures tailored for second-quantization that will encourage reusability and enable scalability for quantum mechanical calculations.
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