相关论文: Magnus integrators on multicore CPUs and GPUs

We propose an algorithm for simulating the dynamics of a geometrically local Hamiltonian $A$ under a small geometrically local perturbation $\alpha B$. In certain regimes, the algorithm achieves the optimal scaling and outperforms the…

Approximate resolution of linear systems of differential equations with varying coefficients is a recurrent problem shared by a number of scientific and engineering areas, ranging from Quantum Mechanics to Control Theory. When formulated in…

The treatment of the time-independent Schrodinger equation in real-space is an indispensable part of introductory quantum mechanics. In contrast, the Schrodinger equation in momentum space is an integral equation that is not readily…

We introduce a numerical approach to computing the Schr\"odinger map (SM) based on the Hasimoto transform which relates the SM flow to a cubic nonlinear Schr\"odinger (NLS) equation. In exploiting this nonlinear transform we are able to…

We present a matrix-free multigrid method for high-order discontinuous Galerkin (DG) finite element methods with GPU acceleration. A performance analysis is conducted, comparing various data and compute layouts. Smoother implementations are…

The market split problem (MSP), introduced by Cornuejols and Dawande (1998), is a challenging binary optimization problem that performs poorly on state-of-the-art linear programming-based branch-and-cut solvers. We present a novel algorithm…

The commercial and industrial demand for the solution of hard combinatorial optimization problems push forward the development of efficient solvers. One of them is the Ising machine which can solve combinatorial problems mapped to Ising…

We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this…

Nowadays, analyzing and reducing the ever larger astronomical datasets is becoming a crucial challenge, especially for long cumulated observation times. The INTEGRAL/SPI X-gamma-ray spectrometer is an instrument for which it is essential to…

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

Real-time trajectory optimization for nonlinear constrained autonomous systems is critical and typically performed by CPU-based sequential solvers. Specifically, reliance on global sparse linear algebra or the serial nature of dynamic…

Immersed boundary methods have attracted substantial interest in the last decades due to their potential for computations involving complex geometries. Often these cannot be efficiently discretized using boundary-fitted finite elements.…

The integrating factor technique is widely used to solve numerically (in particular) the Schr\"odinger equation in the context of spectral methods. Here, we present an improvement of this method exploiting the freedom provided by the gauge…

The explicit criterion is derived in detail for the convergence of the Magnus expansion and the existence of the Magnus solution in the interaction picture, i.e., the exponential propagator in the weakly coupled spin (I=1/2) system SnAMX...…

A numerical method is developed for calculating the real time Green's functions of very large sparse Hamiltonian matrices, which exploits the numerical solution of the inhomogeneous time-dependent Schroedinger equation. The method has a…

We consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…

We explore how the big-three computing paradigms -- symmetric multi-processor (SMC), graphical processing units (GPUs), and cluster computing -- can together be brought to bare on large-data Gaussian processes (GP) regression problems via a…

We revisit the idea of numerically integrating the differential form of Feynman integrals. With a novel approach for the treatment of branch cuts, we develop an integrator capable of evaluating a basis of master integrals in double and…

We present a sparse Gauss-Newton solver for accelerated sensitivity analysis with applications to a wide range of equilibrium-constrained optimization problems. Dense Gauss-Newton solvers have shown promising convergence rates for inverse…

We consider the efficient numerical solution of the three-dimensional wave equation with Neumann boundary conditions via time-domain boundary integral equations. A space-time Galerkin method with $C^\infty$-smooth, compactly supported basis…