Related papers: Accelerating quantum many-body configuration inter…
With the growing interest in quantum computing, the emergence of quantum supremacy has marked a pivotal milestone in the field. As a result, numerous quantum programming languages (QPLs) have been introduced to support the development of…
The paper demonstrates the optimization of the execution environment of a hybrid OpenMP+MPI computational fluid dynamics code (shallow water equation solver) on a cluster enabled with Intel Xeon Phi coprocessors. The discussion includes:…
Heterogeneous computing is one of the most important computational solutions to meet rapidly increasing demands on system performance. It typically allows the main flow of applications to be executed on a CPU while the most computationally…
Modern supercomputers are increasingly relying on Graphic Processing Units (GPUs) and other accelerators to achieve exa-scale performance at reasonable energy usage. The challenge of exploiting these accelerators is the incompatibility…
The IBM Neural Computer (INC) is a highly flexible, re-configurable parallel processing system that is intended as a research and development platform for emerging machine intelligence algorithms and computational neuroscience. It consists…
We present the first open access version of the QMeCha (Quantum MeCha) code, a quantum Monte Carlo (QMC) package developed to study many-body interactions between different types of quantum particles, with a modular and easy-to-expand…
We evaluate the second-generation Intel Xeon Phi coprocessor based on the Intel Many Integrated Core (MIC) architecture, aka the Knights Landing or KNL, for simulating neutrino oscillations in (core-collapse) supernovae. For this purpose we…
We present a massive-parallel implementation of the resolution-of-identity (RI) coupled-cluster approach that includes single, double and perturbatively triple excitations, namely RI-CCSD(T), in the FHI-aims package for molecular systems. A…
Emotion Recognition in Conversations (ERC) has considerable prospects for developing empathetic machines. For multimodal ERC, it is vital to understand context and fuse modality information in conversations. Recent graph-based fusion…
We present an accurate numerical study of the equation of state of nuclear matter based on realistic nucleon--nucleon interactions by means of Auxiliary Field Diffusion Monte Carlo (AFDMC) calculations. The AFDMC method samples the spin and…
Multicore systems present on-board memory hierarchies and communication networks that influence performance when executing shared memory parallel codes. Characterising this influence is complex, and understanding the effect of particular…
Along with the development of AI democratization, the machine learning approach, in particular neural networks, has been applied to wide-range applications. In different application scenarios, the neural network will be accelerated on the…
We consider how to accelerate fermionic molecular dynamics algorithms by introducing n pseudofermion fields coupled with the nth root of the fermionic kernel. This reduces the maximum pseudofermionic force, and thus allows a larger…
The numerical study of relativistic magnetohydrodynamics (MHD) plays a crucial role in high-energy astrophysics, but unfortunately is computationally demanding, given the complex physics involved (high Lorentz factor flows, extreme…
Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine…
We describe OpenFCI, an open source implementation of the full configuration-interaction method (FCI) for two-dimensional quantum dots with optional use of effective renormalized interactions. The code is written in C++ and is available…
The microscopic description of nuclear fission still remains a topic of intense basic research. Un- derstanding nuclear fission, apart from a theoretical point of view, is of practical importance for energy production and the transmutation…
Computational Fluid Dynamics (CFD) is central to science and engineering, but faces severe scalability challenges, especially in high-dimensional, multiscale, and turbulent regimes. Traditional numerical methods often become prohibitively…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…