相关论文: Portably parallel construction of a CI wave functi…

The interplay of quantum and classical simulation and the delicate divide between them is in the focus of massively parallelized tensor network state (TNS) algorithms designed for high performance computing (HPC). In this contribution, we…

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

We discuss the product of $M$ rectangular random matrices with independent Gaussian entries, which have several applications including wireless telecommunication and econophysics. For complex matrices an explicit expression for the joint…

The presented work is part of a larger research program dealing with developing tools for coupling biogeochemical models in contaminated landscapes. The specific objective of this article is to provide the researchers a tool to build…

A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space (GAS) approach is used to partition large…

We combine matrix-product state (MPS) and Mean-Field (MF) methods to model the real-time evolution of a three-dimensional (3D) extended Hubbard system formed from one-dimensional (1D) chains arrayed in parallel with weak coupling in-between…

Coarse-Grained Reconfigurable Arrays (CGRAs) hold great promise as power-efficient edge accelerator, offering versatility beyond AI applications. Morpher, an open-source, architecture-adaptive CGRA design framework, is specifically designed…

Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows…

It is generally considered that concurrent transmissions should be avoided in order to reduce collisions in wireless sensor networks. Constructive interference (CI) envisions concurrent transmissions to positively interfere at the receiver.…

Embedded cyber-physical systems (CPS) are commonly built upon heterogeneous digital and analog integrated circuits, including sensors and actuators. Less common is their deployment on parallel, NoC based designs based on general purpose…

In the previous paper of this series [JCTC 2020, 16, 3757], we presented a theoretical and algorithmic framework based on a localized representation of the occupied space that exploits the inherent sparsity in the real-space evaluation of…

Using the Wigner distribution function, we analyze the behavior on phase space of generalized coherent states associated with the Morse potential (Morse-like coherent states). Within the f-deformed oscillator formalism, such states are…

In this second part of our series on the recently proposed many-body expanded full configuration interaction (MBE-FCI) method, we introduce the concept of multideterminantal expansion references. Through theoretical arguments and numerical…

Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…

The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…

The recently proposed Clifford Circuits Augmented Matrix Product States (CA-MPS) (arXiv:2405.09217) seamlessly augments Density Matrix Renormalization Group with Clifford circuits. In CA-MPS, the entanglement from stabilizers is transferred…

The present paper describes a parallel unstructured-mesh Plasma simulation code based on Finite Volume method. The code dynamically refines and coarses mesh for accurate resolution of the different features regarding the electron density.…

We develop deep Poisson-gamma dynamical systems (DPGDS) to model sequentially observed multivariate count data, improving previously proposed models by not only mining deep hierarchical latent structure from the data, but also capturing…

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the…

COSA is a novel CFD system based on the compressible Navier-Stokes model for unsteady aerodynamics and aeroelasticity of fixed structures, rotary wings and turbomachinery blades. It includes a steady, time domain, and harmonic balance flow…