Related papers: A Python GPU-accelerated solver for the Gross-Pita…
We develop an open-source python workflow package, $py$GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the…
Implicit methods and GPU parallelization are two distinct yet powerful strategies for accelerating high-order CFD algorithms. However, few studies have successfully integrated both approaches within high-speed flow solvers. The core…
Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…
The great success of Physics-Informed Neural Networks (PINN) in solving partial differential equations (PDEs) has significantly advanced our simulation and understanding of complex physical systems in science and engineering. However, many…
Tokenization is a critical preprocessing step in large language model pipelines, yet widely-used implementations remain CPU-bound and suboptimal for batch inference workflows on GPU. We present BlockBPE, a parallel GPU implementation of…
We describe a method for evolving the projected Gross-Pitaevskii equation (PGPE) for an interacting Bose gas in a harmonic oscillator potential, with the inclusion of a long-range dipolar interaction. The central difficulty in solving this…
A spacetime discontinuous Petrov-Galerkin (DPG) method for the linear wave equation is presented. This method is based on a weak formulation that uses a broken graph space. The wellposedness of this formulation is established using a…
We present FlowPM, a Particle-Mesh (PM) cosmological N-body code implemented in Mesh-TensorFlow for GPU-accelerated, distributed, and differentiable simulations. We implement and validate the accuracy of a novel multi-grid scheme based on…
QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within a unified object-oriented architecture. Each physical…
We present a new numerical system using classical finite elements with mesh adaptivity for computing stationary solutions of the Gross-Pitaevskii equation. The programs are written as a toolbox for FreeFem++ (www.freefem.org), a free…
Traffic engineering (TE) has become a crucial tool for enforcing routing policy and maintaining operational efficiency in large networks. Existing TE solutions pick an objective function to optimize, aiming to balance (i) allocating traffic…
Many important real-world applications, such as System Identification with Gaussian Processes, involve solving linear systems with symmetric positive-definite matrices. The iterative CG method and direct solvers based on the Cholesky…
GPUs are the dominant platform for many important applications today including deep learning, accelerated computing, and scientific simulation. However, as the complexity of both applications and hardware increases, GPU chip manufacturers…
Since numerical computing with MATLAB offers a wide variety of advantages, such as easier developing and debugging of computational codes rather than lower-level languages, the popularity of this tool is significantly increased in the past…
By means of new general variational method we report a direct solution for the quintic self-focusing nonlinearity and cubic-quintic 1D Gross Pitaeskii equation (GPE) in a harmonic confined potential. We explore the influence of the 3D…
We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…
We present a General-purpose computing on graphics processing units (GPGPU) based computational program and framework for the electronic dynamics of atomic systems under intense laser fields. We present our results using the case of…
We introduce MAGPIE (Multilevel-Adaptive-Guided Ptychographic Iterative Engine), a stochastic multigrid solver for the ptychographic phase-retrieval problem. The ptychographic phase-retrieval problem is inherently nonconvex and ill-posed.…
The number of cores on graphical computing units (GPUs) is reaching thousands nowadays, whereas the clock speed of processors stagnates. Unfortunately, constraint programming solvers do not take advantage yet of GPU parallelism. One reason…
Electro-quasistatic field problems involving nonlinear materials are commonly discretized in space using finite elements. In this paper, it is proposed to solve the resulting system of ordinary differential equations by an explicit…