相关论文: eT 1.0: an open source electronic structure progra…
We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gausslets, recently introduced wavelet-like smooth orthogonal…
Distributed training methods are crucial for large language models (LLMs). However, existing distributed training methods often suffer from communication bottlenecks, stragglers, and limited elasticity, particularly in heterogeneous or…
Considering the aging effects of existing Inner Drift Chamber (IDC) of BES\uppercase\expandafter{\romannumeral3}, a GEM based inner tracker is proposed to be designed and constructed as an upgrade candidate for IDC. This paper introduces a…
The CMS experiment has been designed with a two-level trigger system: the Level 1 (L1) Trigger, implemented on custom-designed electronics, and the High Level Trigger (HLT), a streamlined version of the CMS reconstruction and analysis…
Ge/Si structures with vertically stacked quantum dots are simulated to implement the basic elements of a quantum computer for operation with electron spin states. Elastic-strain fields are simulated using the conjugate gradient method and…
The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…
Early Classification of Time Series (ECTS) addresses decision-making problems in which predictions must be made as early as possible while maintaining high accuracy. Most existing ECTS methods assume that the time-dependent decision costs…
Enhancing performance while reducing costs is the fundamental design philosophy of integrated circuits (ICs). With advancements in packaging technology, interposer-based chiplet architecture has emerged as a promising solution. Chiplet…
We discuss an effective field theory (EFT) approach to the computation of fluctuation-induced interactions between particles bound to a thermally fluctuating fluid surface controlled by surface tension. By describing particles as points,…
In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet…
The growing complexity of safety-relevant systems causes an increasing effort for safety assurance. The reduction of development costs and time-to-market, while guaranteeing safe operation, is therefore a major challenge. In order to enable…
Topological insulators (TIs) are materials that have a bulk electronic band gap like an ordinary insulator but have protected conducting states on their surface. One of the most interesting properties of TIs is their spin helicity, whereby…
Reliable detection and quantification of quantum entanglement, particularly in high-spin or many-body systems, present significant computational challenges for traditional methods. This study examines the effectiveness of ensemble machine…
Quantum error correction (QEC) is indispensable for scalable quantum computing, but implementing it with minimal hardware overhead remains a central challenge. Large spin systems with collective degrees of freedom offer a promising route to…
StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The objective function typically consists of the energy and the…
The analysis of complex multiphysics astrophysical simulations presents a unique and rapidly growing set of challenges: reproducibility, parallelization, and vast increases in data size and complexity chief among them. In order to meet…
With the success of transformer architectures across diverse applications, the error correction code transformer (ECCT) has gained significant attention for its superior decoding performance. In spite of its advantages, the error floor…
Edge Computing (EC) is about remodeling the way data is handled, processed, and delivered within a vast heterogeneous network. One of the fundamental concepts of EC is to push the data processing near the edge by exploiting front-end…
Accurate electroencephalogram (EEG) pattern decoding for specific mental tasks is one of the key steps for the development of brain-computer interface (BCI), which is quite challenging due to the considerably low signal-to-noise ratio of…
Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and…