Related papers: GPU-accelerated finite-temperature Lanczos method …
We present a modified finite temperature Lanczos method for the evaluation of dynamical and static quantities of strongly correlated electron systems that complements the finite temperature method (FTLM) introduced by Jaklic and Prelovsek…
It is virtually impossible to evaluate the magnetic properties of large anisotropic magnetic molecules numerically exactly due to the huge Hilbert space dimensions as well as due to the absence of symmetries. Here we propose to advance the…
The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…
The computation of thermal properties of quantum many-body systems is a central challenge in our understanding of quantum mechanics. We introduce the Quantum Finite Temperature Lanczos Method (QFTLM), which extends the finite-temperature…
In recent years, the Hamiltonian Monte Carlo (HMC) algorithm has been found to work more efficiently compared to other popular Markov Chain Monte Carlo (MCMC) methods (such as random walk Metropolis-Hastings) in generating samples from a…
The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…
Graphics Processing Units (GPUs) are being used in many areas of physics, since the performance versus cost is very attractive. The GPUs can be addressed by CUDA which is a NVIDIA's parallel computing architecture. It enables dramatic…
Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…
This paper presents the implementation of a HLLC finite volume solver using GPU technology for the solution of shallow water problems in two dimensions. It compares both CPU and GPU approaches for implementing all the solver's steps. The…
Graphics Processing Units (GPUs) have become the leading hardware accelerator for deep learning applications and are used widely in training and inference of transformers; transformers have achieved state-of-the-art performance in many…
Many-particle continuous-time quantum walks (CTQWs) represent a resource for several tasks in quantum technology, including quantum search algorithms and universal quantum computation. In order to design and implement CTQWs in a realistic…
We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous…
Point-based 3D point cloud models employ computation and memory intensive mapping functions alongside NN layers for classification/segmentation, and are executed on server-grade GPUs. The sparse, and unstructured nature of 3D point cloud…
A numerical algorithm to calculate exact finite-temperature spectra of many-body lattice Hamiltonians is formulated by combining the typicality approach and the shifted Krylov subspace method. The combined algorithm, which we name…
This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial…
We solve the Hubbard model with the exact diagonalization method on a graphics processing unit (GPU). We benchmark our GPU program against a sequential CPU code by using the Lanczos algorithm to solve the ground state energy in two cases: a…
We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…
We develop a highly optimized code for simulating the Edwards-Anderson Heisenberg model on graphics processing units (GPUs). Using a number of computational tricks such as tiling, data compression and appropriate memory layouts, the…
High-performance GPU kernels are essential for efficient LLM deployment, yet optimizing them remains expertise-intensive. Recent LLM-based code generation makes automatic GPU operator generation promising, but operator optimization remains…
We present a modified Lanczos algorithm to diagonalize lattice Hamiltonians with dramatically reduced memory requirements, {\em without restricting to variational ansatzes}. The lattice of size $N$ is partitioned into two subclusters. At…