Numerical methods for large-scale quantum material simulations

Hiroto Imachi, 39454, 39455

Numerical methods for large-scale quantum material simulations

Chen Huang

Hui Jun Xue, Zhixiang Huang, Xianliang Wu

A faster numerical method based on FDTD for the four energy level atomic system is present here. The initial conditions for the electrons of each level are achieving while the fields are in steady state. Polarization equation, rate equations of electronic population and Maxwell’s equations were used to describe the coupling between the atoms and electromagnetic wave. Numerical simulations, based on a finite-difference time-domain (FDTD) method, were utilized to obtain the population inversion and lasing threshold. The validity of the model and its theory is confirmed. The time, which we can observe the lasing phenomenon, is much shorter in our new model. Our model can be put into using in large scale simulations in mutiphysics to reduce the total simulated time.

T. C. Schulthess

Nikos L. Doltsinis

M. B. Donnelly, Yousun Chung, Rebekka Garreis +15 more

Abstract In pursuit of a practical quantum advantage 1 , analogue quantum systems provide an invaluable way to simulate the physics of quantum materials 2–4 , quantum systems out of equilibrium 5,6 or interaction-induced localization 7 . Notable recent progress to realize such systems has been achieved in ultracold atoms 8–12 , superconducting circuits 13–15 and twisted van der Waals materials 16–19 . However, so far, these platforms have struggled to simulate large-scale strongly interacting fermionic systems at low temperatures, at which electronic correlations dominate materials properties and numerical simulations remain restricted in accuracy and scope 20,21 . Here we demonstrate the realization of a new platform consisting of large-scale 2D arrays of sub-nanometre precision-engineered atom-based quantum dots (15,000 sites) to simulate strongly interacting, low-temperature physics. By observing a metal–insulator (MI) transition on a 2D square lattice of atom-based quantum dots, we demonstrate independent and precise control of the on-site interaction U and tunnelling t . Magneto-transport measurements further indicate the formation of an insulating state driven by Mott–Hubbard/Anderson physics and promising signatures of correlated electron physics. These precision-engineered analogue quantum simulators provide a unique platform to simulate quantum materials on arbitrary 2D lattices and to explore many unanswered questions in the formation of quantum magnetism, interacting topological quantum matter and unconventional superconductivity.