Analogue quantum chemistry simulation
J. Argüello-Luengo, A. González-Tudela, T. Shi, P. Zoller & I. Cirac.
Nature 574, 215-218 (2019).
Computing the electronic structure of molecules with high precision is a central challenge in the field of quantum chemistry. Despite the success of approximate methods, tackling this problem exactly with conventional computers remains a formidable task. Several theoretical and experimental attempts have been made to use quantum computers to solve chemistry problems, with early proof-of-principle realizations done digitally. An appealing alternative to the digital approach is analogue quantum simulation, which does not require a scalable quantum computer and has already been successfully applied to solve condensed matter physics problems. However, not all available or planned setups can be used for quantum chemistry problems, because it is not known how to engineer the required Coulomb interactions between them. Here we present an analogue approach to the simulation of quantum chemistry problems that relies on the careful combination of two technologies: ultracold atoms in optical lattices and cavity quantum electrodynamics. In the proposed simulator, fermionic atoms hopping in an optical potential play the role of electrons, additional optical potentials provide the nuclear attraction, and a single-spin excitation in a Mott insulator mediates the electronic Coulomb repulsion with the help of a cavity mode. We determine the operational conditions of the simulator and test it using a simple molecule. Our work opens up the possibility of efficiently computing the electronic structures of molecules with analogue quantum simulation.
Time-dependent study of disordered models with infinite projected entangled pair states
C. Hubig, I. Cirac.
SciPost Physics 6, 031 (2019).
Infinite projected entangled pair states (iPEPS), the tensor network ansatz for two-dimensional systems in the thermodynamic limit, already provide excellent results on ground-state quantities using either imaginary-time evolution or variational optimisation. Here, we show (i) the feasibility of real-time evolution in iPEPS to simulate the dynamics of an infinite system after a global quench and (ii) the application of disorder-averaging to obtain translationally invariant systems in the presence of disorder. To illustrate the approach, we study the short-time dynamics of the square lattice Heisenberg model in the presence of a bi-valued disorder field.