In the existing quantum algorithms for the lattice Boltzmann method, resolving the unitarity problem of the BGK collision operator from first principles remains a fundamental challenge, and a systematically constructed unitary alternative that reproduces the BGK relaxation structure to leading order has not yet been established in the literature. In this work, we propose a novel quantum lattice Boltzmann method (QLBM) based on the rotation collision operator, in which the non-unitary BGK relaxation is replaced by a unitary rotation in the amplitude space of the distribution function, and the corresponding gate-level quantum circuits are also constructed. Specifically, the rotation collision operator is developed for both the D2Q5 model of the convection-diffusion equation and the D2Q9 model of the incompressible Navier--Stokes equations. It is worth noting that, for the D2Q5 model, the equilibrium-state preparation circuit can be precompiled and reused, and the resulting unitary blocks can be sequentially composed once the state-dependent collision parameters are specified. Finally, some numerical experiments are performed to validate the developed QLBM, demonstrating its accuracy and effectiveness.
We present a Quantum Boltzmann Equation self-consistent-field (QBE-SCF) formulation for molecular electronic structure in which the one-electron reduced density matrix is propagated in an atomic orbital basis and relaxed by a Bhatnagar-Gross-Krook collision operator toward a Fermi-Dirac equilibrium defined by the insta...
Turbulent fluid simulation is computationally demanding because nonlinear interactions couple a wide range of scales. Quantum computing offers another computational model, but fluid evolution is nonlinear and dissipative whereas closed gate-based dynamics is linear and reversible. The lattice Boltzmann method (LBM) is...
For the often encountered problem of the Poisson equation, this work presents a quantum algorithm solving it based on the quantum Fourier transform (QFT) for periodic boundary conditions as well as free field conditions, where the latter is realized via the Hockney method. Besides the QFT and an initialization procedur...
Hans A. Kösel, Roland Ewert, Jan W. Delfs· 0 citations
We develop a representation-independent symmetric-Fock formulation of the nonlinear Boltzmann collision operator for Maxwell molecules. Starting from the standard velocity-space operator, we give a short derivation of Bobylev's Fourier identity and isolate its characteristic structure: two linearly related Fourier argu...
A product-formula quantum algorithm is presented that models single-channel helium–helium scattering by real-time evolution of a Gaussian wavepacket, requiring no precomputation of eigenstates and provides a ground-truth operator for benchmarking approximate quantum simulation.
Joshua M. Courtney, P. Stancil· Journal of Physical Chemistr...· 0 citations