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Quantum computers could potentially simulate the dynamics of systems such as polyatomic molecules on a much larger scale than classical computers. We investigate a general quantum computational algorithm that simulates the time evolution of…
The Vlasov-Maxwell equations provide kinetic simulations of collisionless plasmas, but numerically solving them on classical computers is often impractical. This is due to the computational resource constraints imposed by the time evolution…
As a universal quantum mechanical approach to the dynamical many-body problem, the time-dependent density functional theory (TDDFT) might be inadequate to describe crucial observables that rely on two-body evolution behavior, like the…
Periodically driven quantum systems can be used to realize quantum pumps, ratchets, artificial gauge fields and novel topological states of matter. Starting from the Keldysh approach, we develop a formalism, the Floquet-Boltzmann equation,…
We present an efficient quasi-Newton orbital solver optimized to reduce the number of gradient (Fock matrix) evaluations. The solver optimizes orthogonal orbitals by sequences of unitary rotations generated by the (preconditioned)…
Driving a quantum system periodically in time can profoundly alter its long-time correlations and give rise to exotic quantum states of matter. The complexity of the combination of many-body correlations and dynamic manipulations has the…
We present an explicit multiscale algorithm for solving differential equations for problems with high-frequency modes that can be averaged over by separating and scaling the fast and slow dynamics within a single equation. We introduce a…
In this paper, we propose using LSTM-RNNs (Long Short-Term Memory-Recurrent Neural Networks) to learn and represent nonlinear integral operators that appear in nonlinear integro-differential equations (IDEs). The LSTM-RNN representation of…
A real-time path integral Monte Carlo approach is developed to study the dynamics in a many-body quantum system until reaching a nonequilibrium stationary state. The approach is based on augmenting an exact reduced equation for the…
In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
A numerical method for solving the equations modeling acoustic scattering is presented. The method is capable of handling several dozen scatterers, each of which is several wave-lengths long, on a personal work station. Even for geometries…
A highly recurrent traditional bottleneck in applied mathematics, for which the most popular codes (Mathematica and Matlab) do not offer a solution, is to find all the real solutions of a system of N nonlinear equations in a certain finite…
We address a linear fractional differential equation and develop effective solution methods using algorithms for inversion of triangular Toeplitz matrices and the recently proposed QTT format. The inverses of such matrices can be computed…
The Boltzmann equation is a powerful theoretical tool for modeling the collective dynamics of quantum many-body systems subject to external perturbations. Analysis of the equation gives access to linear response properties including…
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single…
Quantum integrability has proven to be a useful tool to study quantum many-body systems out of equilibrium. In this paper we construct a generic framework for integrable quantum circuits through the procedure of Floquet Baxterisation. The…
We take a soliton solution of a classical non-linear integrable equation and quench (suddenly change) its non-linearity parameter. For that we multiply the amplitude or the width of a soliton by a numerical factor $\eta$ and take the…
For the solution of time-dependent nonlinear differential equations, we present variational quantum algorithms (VQAs) that encode both space and time in qubit registers. The spacetime encoding enables us to obtain the entire time evolution…
Partial differential equations frequently appear in the natural sciences and related disciplines. Solving them is often challenging, particularly in high dimensions, due to the "curse of dimensionality". In this work, we explore the…