KITE code: real-space simulation of quantum condensed matter for the first time scalable to billions of atomic orbitals
Large-scale multi-orbital models
Realistic disorder landscapes and disorder statistics
Fine spectral resolution, ideal for studies of quantum critical phenomena
Green’s functions are evaluated by means of accurate real-space spectral expansions, which provide fine control over accuracy and energy resolution for all in-built functions for both pristine and disordered crystals.
KITE boasts a suite of fast and highly-scalable spectral algorithms, capable to treat extremely large computational domains with up to billions of atomic orbitals at relatively modest computational costs. Target functions are evaluated by means of multi-threaded algorithms that can be easily optimized to specific CPU architectures.
KITE's target functions span a wide range of physical properties (e.g., local DOS and optical conductivity) of lattice models with arbitrary complexity. A friendly python interface allows to easily define/import model parameters and select desired target functions and algorithms (single-shot, full spectral, etc.).
2025-05-09
York hosted this year's KITE Developers week (6-8 May) which aimed to improve and expand the project's documentation. From left to right: Daniela Gonçalves (York), Henrique Veiga (Porto/York) and Zulekha Samiullah (Bristol/York). Behind them is Newton's tree!
2025-05-01
A warm welcome to João Pinho (Porto) and Henrique Veiga (Porto/York) who are joining our team to develop new KITE functionalities.