dynamic, functional, and complex quantum matter
Title: dynamic, functional, and complex quantum matter
DNr: SNIC 2022/5-459
Project Type: SNIC Medium Compute
Principal Investigator: Matthias Geilhufe <matthias.geilhufe@chalmers.se>
Affiliation: Chalmers tekniska högskola
Duration: 2022-11-01 – 2023-11-01
Classification: 10304
Homepage: https://www.chalmers.se/en/Staff/Pages/Matthias-Geilhufe.aspx


Quantum matter exhibits quantum phenomena on macroscopic length scales and lays the foundation for the next generation quantum technology. We request resources for a dedicated effort in understanding novel types of dynamical, hidden, and entangled quantum orders; their potential for functionalization, as well as developing novel computational methodology as the theoretical backbone. Example are higher-order variants of multiferroica (quadrupolar etc) or transient orders such as phonon-induced magnetism. Applications range from spintronics, energy materials, to quantum sensors. While symmetry principles are the prime approach to understand such phenomena, we require computational resources to investigate relevant complex materials. Here, the focus lies on oxides and organics. On the one hand, we perform density functional theory computations to reveal material-specific properties. On the other hand, we aim to develop novel AI approaches to efficiently simulate temperature dependent structural phenomena as well as to identify promising quantum materials using material informatics. For the latter, the organic materials database (developed by the PI; omdb.mathub.io) represents a prime data resource. The requested resources will foster the development of a new research group at Chalmers (led by the PI) as well as forming strong research collaboration locally at Chalmers.