Related papers: Towards High Performance Relativistic Electronic S…
An improved version of a recently developed stochastic cluster dynamics (SCD) method {[}Marian, J. and Bulatov, V. V., {\it J. Nucl. Mater.} \textbf{415} (2014) 84-95{]} is introduced as an alternative to rate theory (RT) methods for…
Excited-state electronic structure in strongly correlated systems remains challenging due to the exponential scaling of the many-body Hilbert space and the difficulty of constructing systematically controlled active spaces. Building on the…
Subspace clustering refers to the task of finding a multi-subspace representation that best fits a collection of points taken from a high-dimensional space. This paper introduces an algorithm inspired by sparse subspace clustering (SSC) [In…
Convex clustering is a well-regarded clustering method, resembling the similar centroid-based approach of Lloyd's $k$-means, without requiring a predefined cluster count. It starts with each data point as its centroid and iteratively merges…
The HL-LHC and the corresponding detector upgrades for the CMS experiment will present extreme challenges for the full simulation. In particular, increased precision in models of physics processes may be required for accurate reproduction…
The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented…
In this article, a new generic higher-order finite-element framework for massively parallel simulations is presented. The modular software architecture is carefully designed to exploit the resources of modern and future supercomputers.…
High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of…
In this work, the fast-convolving reproducing kernel particle method (FC-RKPM) is introduced. This method is hundreds to millions of times faster than the traditional RKPM for 3D meshfree simulations. In this approach, the meshfree…
This paper describes in detail the implementation of a finite element technique for solving the compressible Navier-Stokes equations that is provably robust and demonstrates excellent performance on modern computer hardware. The method is…
Spectral clustering has gained importance in recent years due to its ability to cluster complex data as it requires only pairwise similarity among data points with its ease of implementation. The central point in spectral clustering is the…
The FCC integrated programme comprises an $\rm e^+e^-$ high-luminosity circular collider that will produce very large samples of data in an energy range $88 \le \sqrt{s} \le 365$ GeV, followed by a high-energy $\rm pp$ machine that, with…
A new real-time PC based algorithm and a compact C++ code to operate in a real-time mode with a 48x128 strip double side position sensitive large area silicon radiation detector Micron Semiconductors (UK) are developed and tested. Namely…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
Ensemble clustering has been a popular research topic in data mining and machine learning. Despite its significant progress in recent years, there are still two challenging issues in the current ensemble clustering research. First, most of…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
This paper focuses on scalability and robustness of spectral clustering for extremely large-scale datasets with limited resources. Two novel algorithms are proposed, namely, ultra-scalable spectral clustering (U-SPEC) and ultra-scalable…
The most essential concept in concurrent multiscale methods involving atomistic-continuum coupling is how to define the relation between atomistic and continuum regions. A well-known coupling method that has been frequently employed in…
Concept Factorization (CF) and its variants may produce inaccurate representation and clustering results due to the sensitivity to noise, hard constraint on the reconstruction error and pre-obtained approximate similarities. To improve the…
The clustering of data into physically meaningful subsets often requires assumptions regarding the number, size, or shape of the subgroups. Here, we present a new method, simultaneous coherent structure coloring (sCSC), which accomplishes…