Related papers: A graphical user interface software for lattice QC…
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…
A lattice gauge theory framework for simulations on graphic processing units (GPUs) using NVIDIA's CUDA is presented. The code comprises template classes that take care of an optimal data pattern to ensure coalesced reading from device…
In this paper we present Chaoticus, a Python-based package for the GPU-accelerated integration of ODE systems and the computation of chaos indicators, including SALI, GALI, Lagrangian Descriptors based indicators and the Lyapunov exponent…
We present the speedup from a novel parallel implementation of the multicanonical method on the example of a lattice gas in two and three dimensions. In this approach, all cores perform independent equilibrium runs with identical weights,…
We explore gauge actions for lattice QCD, which are constructed such that the occurrence of small plaquette values is strongly suppressed. Such actions originate from the admissibility condition in order to conserve the topological charge.…
For Hermitian positive definite linear systems and eigenvalue problems, the eigCG algorithm is a memory efficient algorithm that solves the linear system and simultaneously computes some of its eigenvalues. The algorithm is based on the…
This paper introduces and evaluates a freely available cellular nonlinear network simulator optimized for the effective use of GPUs, to achieve fast modelling and simulations. Its relevance is demonstrated for several applications in…
The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…
We present the results of the physical point simulation in 2+1 flavor lattice QCD with the nonperturbatively $O(a)$-improved Wilson quark action and the Iwasaki gauge action at $\beta=1.9$ on a $32^3 \times 64$ lattice. The physical quark…
We present evidence of the feasibility of using billion core approximate computers to run simple U(1) sigma models, and discuss how the approach might be extended to Lattice Quantum Chromodynamics (LQCD) models. This work is motivated by…
We present the first high performance compiler for very large scale quantum error correction: it translates an arbitrary quantum circuit to surface code operations based on lattice surgery. Our compiler offers an end to end error correction…
When simulating a lattice system near its critical temperature, local algorithms for modeling the system's evolution can introduce very large autocorrelation times into sampled data. This critical slowing down places restrictions on the…
We present a versatile GPU-based parallel version of Logistic Regression (LR), aiming to address the increasing demand for faster algorithms in binary classification due to large data sets. Our implementation is a direct translation of the…
Compton cameras are radiation detectors that provide spatial information on the origin of the {\gamma}-ray sources based on the Compton scattering effect. Many applications require these detectors to be used at high counting rate. As such,…
Theoretical and numerical studies of the Wilson flow in lattice QCD suggest that the gauge field obtained at flow time t>0 is a smooth renormalized field. The expectation values of local gauge-invariant expressions in this field are thus…
We present interactive data-driven compute overlays for native and web-based 3D geographic map applications based on WebGPU. Our data-driven overlays are generated in a multi-step compute workflow from multiple data sources on the GPU. We…
Jefferson Lab and MIT are developing a set of web-based tools within the Lattice Hadron Physics Collaboration to allow lattice QCD theorists to treat the computational facilities located at the two sites as a single meta-facility. The…
We create a Python GUI scripting interface working under Windows in addition to (UNIX/Linux). The GUI has been built around the Python open-source programming language. We use the Python's GUI library that so called Python Mega Widgets…
We study the feasibility of a PC-based parallel computer for medium to large scale lattice QCD simulations. The E\"otv\"os Univ., Inst. Theor. Phys. cluster consists of 137 Intel P4-1.7GHz nodes with 512 MB RDRAM. The 32-bit, single…
We investigate the performance of various methods of symplectic integration, which are based on two part splitting of the integration operator, for the numerical integration of multidimensional Hamiltonian systems. We implement these…