Related papers: eT 1.0: an open source electronic structure progra…
Edge Computing (EC) offers an infrastructure that acts as the mediator between the Cloud and the Internet of Things (IoT). The goal is to reduce the latency that we enjoy when relying on Cloud. IoT devices interact with their environment to…
In this paper, we develop a framework to construct energy-preserving methods for multi-components Hamiltonian systems, combining the exponential integrator and the partitioned averaged vector field method. This leads to numerical schemes…
The work presents elecode, open-source software for various electrical engineering applications that require considering electromagnetic processes. The primary focus of the software is power engineering applications. However, the software…
This paper presents a novel procedure for energy management system (EMS) that can utilize the flexibility in transmission network in a practical way. With the proposed enhanced EMS procedure, the reliability benefits that are provided by…
We present the open-source computer program JETSPIN, specifically designed to simulate the electrospinning process of nanofibers. Its capabilities are shown with proper reference to the underlying model, as well as a description of the…
Ensemble density functional theory (EDFT) is a promising alternative to time-dependent density functional theory for computing electronic excitation energies. Using coordinate scaling, we prove several fundamental exact conditions in EDFT…
An iterative coupling algorithm based on restricted additive Schwarz domain decomposition is investigated to co-simulate electrical circuits with hybrid electromagnetic (EMT) and transient stability (TS) modeled using dynamic phasors. This…
We combine the electron attachment (EA) and ionization potential (IP) equation-of-motion (EOM) coupled-cluster (CC) approaches with the CC($P$;$Q$) formalism. The resulting methodologies are used to describe the electronic states of several…
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
ESP is an open-source research platform for heterogeneous SoC design. The platform combines a modular tile-based architecture with a variety of application-oriented flows for the design and optimization of accelerators. The ESP architecture…
This paper proposes a framework called Watts for implementing, comparing, and recombining open-ended learning (OEL) algorithms. Motivated by modularity and algorithmic flexibility, Watts atomizes the components of OEL systems to promote the…
Cryo-electron tomography (cryo-ET) is an emerging technology for the 3D visualization of structural organizations and interactions of subcellular components at near-native state and sub-molecular resolution. Tomograms captured by cryo-ET…
Classification and clustering algorithms have been proved to be successful individually in different contexts. Both of them have their own advantages and limitations. For instance, although classification algorithms are more powerful than…
Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at…
A novel approach to rapidly converging high-level coupled-cluster (CC) energetics in an automated fashion is proposed. The key idea is an adaptive selection of the excitation manifolds defining higher-than-two-body components of the cluster…
Distributed caches are widely deployed to serve social networks and web applications at billion-user scales. This paper presents Cache-on-Track (CoT), a decentralized, elastic, and predictive caching framework for cloud environments. CoT…
Electrical Resistivity Tomography (ERT) is increasingly used to study subsurface hydrological processes. It shows promising potential for estimating soil water content, a key but challenging property to quantify. However, converting the…
Integrated data and energy transfer (IDET) is an advanced technology for enabling energy sustainability for massively deployed low-power electronic consumption components. However, the existing work of IDET using the…
We present the first open release of the DCA++ project, a high-performance research software framework to solve quantum many-body problems with cutting edge quantum cluster algorithms. DCA++ implements the dynamical cluster approximation…