Related papers: QYMSYM: A GPU-Accelerated Hybrid Symplectic Integr…
Time-domain radio astronomy utilizes a harmonic sum algorithm as part of the Fourier domain periodicity search, this type of search is used to discover single pulsars. The harmonic sum algorithm is also used as part of the Fourier domain…
We present a set of new, efficient high-order symplectic methods designed for Hamiltonian systems with cubic or quartic potentials. By demonstrating that polynomial potentials require fewer order conditions, we develop schemes that…
Coherent Ising Machines (CIMs) have emerged as a hybrid form of quantum computing devices designed to solve NP-complete problems, offering an exciting opportunity for discovering optimal solutions. Despite challenges such as susceptibility…
In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one needs a numerical integration algorithm which is symplectic. Further, this algorithm should be fast and accurate. In this paper, we propose…
The growing adoption of domain-specific architectures in edge computing platforms for deep learning has highlighted the efficiency of hardware accelerators. However, integrating custom accelerators into modern machine learning (ML)…
We present updates on the development of pySecDec, a toolbox to numerically evaluate parameter integrals in the context of dimensional regularization. We discuss difficulties with loop integrals in the special kinematic condition where the…
We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and…
Simulation of atomic resolution image formation in scanning transmission electron microscopy can require significant computation times using traditional methods. A recently developed method, termed plane-wave reciprocal-space interpolated…
Neurosim is a fast, real-time, high-performance library for simulating sensors such as dynamic vision sensors, RGB cameras, depth sensors, and inertial sensors. It can also simulate agile dynamics of multi-rotor vehicles in complex and…
Hardware accelerators are key to the efficiency and performance of system-on-chip (SoC) architectures. With high-level synthesis (HLS), designers can easily obtain several performance-cost trade-off implementations for each component of a…
We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…
We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…
We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…
We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to…
We have newly developed a Parallelized Particle-Particle Particle-tree code for Planet formation, PENTACLE, which is a parallelized hybrid $N$-body integrator executed on a CPU-based (super)computer. PENTACLE uses a 4th-order Hermite…
We introduce the first version of GPU4PySCF, a module that provides GPU acceleration of methods in PySCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets…
As part of the Exascale Computing Project (ECP), a recent focus of development efforts for the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (SUNDIALS) has been to enable GPU-accelerated time integration in scientific…
This article considers non-relativistic charged particle dynamics in both static and non-static electromagnetic fields, which are governed by nonseparable, possibly time-dependent Hamiltonians. For the first time, explicit symplectic…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
A projection-based immersed boundary method is dominated by sparse linear algebra routines. Using the open-source Cusp library, we observe a speedup (with respect to a single CPU core) which reflects the constraints of a bandwidth-dominated…