Related papers: Fast GPU-based calculations in few-body quantum sc…
We present a general method for accelerating by more than an order of magnitude the convolution of pixelated function on the sphere with a radially-symmetric kernel. Our method splits the kernel into a compact real-space, and a compact…
We describe a computational framework for hierarchical Bayesian inference with simple (typically single-plate) parametric graphical models that uses graphics processing units (GPUs) to accelerate computations, enabling deployment on very…
We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and…
The Preconditioned Conjugate Gradient (PCG) method is widely used for solving linear systems of equations with sparse matrices. A recent version of PCG, Pipelined PCG, eliminates the dependencies in the computations of the PCG algorithm so…
A number of many-body problems can be formulated using Hamiltonians that are quadratic in the creation and annihilation operators. Here, we show how such quadratic Hamiltonians can be efficiently estimated indirectly, employing very few…
We present a batched first-order method for solving multiple linear programs in parallel on GPUs. Our approach extends the primal-dual hybrid gradient algorithm to efficiently solve batches of related linear programming problems that arise…
Many properties of current \emph{ab initio} approaches to the quantum many-body problem, both perturbational or otherwise, are related to the singularity structure of Rayleigh--Schr\"odinger perturbation theory. A numerical procedure is…
A numerical method for simulation of bubble dynamics in three-dimensional potential flows is presented. The approach is based on the boundary element method for the Laplace equation accelerated via the fast multipole method implemented on a…
This manuscript presents GPU optimizations for the 2D Hierarchical Poincar\'e-Steklov (HPS) discretization scheme. HPS is a multi-domain spectral collocation method that combines high-order discretizations with direct solvers to accurately…
The Event Horizon Telescope (EHT) has recently released high-resolution images of accretion flows onto two supermassive black holes. Our physical understanding of these images depends on accuracy and precision of numerical models of plasma…
The study of biological systems witnessed a pervasive cross-fertilization between experimental investigation and computational methods. This gave rise to the development of new methodologies, able to tackle the complexity of biological…
The paper presents the aspect of use of modern graphics accelerators supporting CUDA technology for high-performance computing in the field of linear algebra. Fully programmable graphic cards have been available for several years for both…
Using canonical quantisation, and eschewing the Schwinger-Keldysh path integral, we derive a version of the Worldline Quantum Field Theory (WQFT) formalism suitable for both scattering and bound configurations of the classical two-body…
Quantum few-body systems are deceptively simple. Indeed, with the notable exception of a few special cases, their associated Schrodinger equation cannot be solved analytically for more than two particles. One has to resort to approximation…
We develop a novel linear-complexity bottom-up sketching-based algorithm for constructing a $H^2$ matrix, and present its high performance GPU implementation. The construction algorithm requires both a black-box sketching operator and an…
We develop a new computational tool and framework for characterizing the scattering of photons by energy-nonconserving Hamiltonians into unidirectional (chiral) waveguides, for example, with coherent pulsed excitation. The temporal…
We present the GPU calculation with the common unified device architecture (CUDA) for the Wolff single-cluster algorithm of the Ising model. Proposing an algorithm for a quasi-block synchronization, we realize the Wolff single-cluster Monte…
Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…
The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…
The two-body Coulomb scattering problem is solved using the standard complex scaling method. The explicit enforcement of the scattering boundary condition is avoided. Splitting of the scattering wave function based on the Coulomb modified…