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We present a new implementation of the hybrid antisymmetrized Coupled Channels (haCC) method in the framework of the tRecX [A. Scrinzi, Comp. Phys. Comm., 270:108146, 2022.]. The method represents atomic and molecular multi-electron…

Matrix factorization (MF) discovers latent features from observations, which has shown great promises in the fields of collaborative filtering, data compression, feature extraction, word embedding, etc. While many problem-specific…

In boundary element methods (BEM) in $\mathbb{R}^3$, matrix elements and right hand sides are typically computed via analytical or numerical quadrature of the layer potential multiplied by some function over line, triangle and tetrahedral…

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Real-time, energy-efficient inference on edge devices is essential for graph classification across a range of applications. Hyperdimensional Computing (HDC) is a brain-inspired computing paradigm that encodes input features into…

Deep Neural Networks (DNNs) have been widely deployed for many Machine Learning applications. Recently, CapsuleNets have overtaken traditional DNNs, because of their improved generalization ability due to the multi-dimensional capsules, in…

Structural prediction for the discovery of novel materials is a long sought after goal of computational physics and materials sciences. The success is rather limited for methods such as the simulated annealing method (SA) that require…

Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…

Deploying a deep learning model on mobile/IoT devices is a challenging task. The difficulty lies in the trade-off between computation speed and accuracy. A complex deep learning model with high accuracy runs slowly on resource-limited…

In this work, we discuss our vision for neuromorphic accelerators based on integrated photonics within the framework of the Horizon Europe NEUROPULS project. Augmented integrated photonic architectures that leverage phase-change and III-V…

The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…

Lattice field theory (LFT) is the standard non-perturbative method to perform numerical calculations of quantum field theory. However, the typical bottleneck of fermionic lattice calculations is the inversion of the Dirac matrix. This…

We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…

Massive MIMO systems have the potential to significantly enhance spectral efficiency, yet their widespread integration is hindered by the high power consumption of the underlying computations. This paper explores the applicability and…

MCMC algorithms such as Metropolis-Hastings algorithms are slowed down by the computation of complex target distributions as exemplified by huge datasets. We offer in this paper an approach to reduce the computational costs of such…

Achieving high channel estimation accuracy and reducing hardware cost as well as power dissipation constitute substantial challenges in the design of massive multiple-input multiple-output (MIMO) systems. To resolve these difficulties,…

Integrated sensing and communication (ISAC) is a pivotal component of sixth-generation (6G) wireless networks, leveraging high-frequency bands and massive multiple-input multiple-output (M-MIMO) to deliver both high-capacity communication…

We develop a fused matrix multiplication kernel that unifies sampled dense-dense matrix multiplication and sparse-dense matrix multiplication under a single operation called FusedMM. By using user-defined functions, FusedMM can capture…

In this paper, we describe the algorithms we implemented in FDPS to make efficient use of accelerator hardware such as GPGPUs. We have developed FDPS to make it possible for many researchers to develop their own high-performance parallel…

Fast Neural Architecture Construction (NAC) is a method to construct deep network architectures by pruning and expansion of a base network. In recent years, several automated search methods for neural network architectures have been…