The BITMAP project is divided into 3 work packages (WPs).
WP1 focuses on the theoretical modelling of the electronic properties of novel quantum materials. This modelling is primarily based on the density functional theory, that provides a solid and acclaimed framework to predict and unveil the quantum behaviour of electrons in molecules and solids. During the first two years of the outgoing phase at the Center for Computational Quantum Physics in NewYork, several classes of quantum materials have been investigated, namely Weyl semimetals, two-dimensional hexagonal and triangular topological insulators and Kagome metals, resulting in 9 scientific publications. The incoming phase has seen a clear continuation of the research along these topics, with the result of 9 scientific publications and their dissemination in conferences.
WP2 seeks novel intersections between the problem of interacting electrons, ubiquitous in quantum materials, and the tools of artificial intelligence. In this framework, a cutting edge method in many-body physics, known as the Functional Renormalisation Group, has been augmented by deep neural networks. This research has led, so far, to a pivotal scientific publication and to the release of the open software NeuralFRG. During the incoming phase, WP2 has seen the application of signal processing compression methods to the problem of interacting electrons.
WP3 concentrates instead on the electronic long range orders of quantum materials, ranging from superconductivity to magnetism. Starting from the electronic properties investigated in WP1, WP3 used so-called vertex based methods, such as the weak coupling Renormalisation Group and the Random Phase Approximation, to explore phase diagrams of collective phenomena. 6 scientific publications have emerged, so far, as a result of this research line.
