相关论文: eT 1.0: an open source electronic structure progra…

This letter proposes discrete changes in the power output of emerging power technologies (EPT) for controlling oscillations and frequency excursions. For the former, a new perspective is proposed that connects oscillations with the…

A unitary coupled-cluster (UCC)-based self-consistent electron propagator theory (EPT) is proposed for the description of electron-detached and electron-attached states. Two practical schemes, termed IP/EA-UCC3 and IP/EA-qUCCSD, are…

Error correction codes (ECC) are crucial for ensuring reliable information transmission in communication systems. Choukroun & Wolf (2022b) recently introduced the Error Correction Code Transformer (ECCT), which has demonstrated promising…

The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…

Ensembling BERT models often significantly improves accuracy, but at the cost of significantly more computation and memory footprint. In this work, we propose Multi-CLS BERT, a novel ensembling method for CLS-based prediction tasks that is…

The flexibility in transmission networks is not fully utilized and reflected in existing energy management systems (EMSs). Corrective transmission switching (CTS) is proposed in this two-part paper to enable EMS to take advantage of the…

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and…

Large-scale integration of electric vehicles (EVs) leads to a tighter integration between transportation and electric energy systems. In this paper, we develop a novel integer-clustering approach to model a large number of EVs that manages…

A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…

The reconstruction of the trajectories of charged particles, or track reconstruction, is a key computational challenge for particle and nuclear physics experiments. While the tuning of track reconstruction algorithms can depend strongly on…

The application of traction control systems (TCS) for electric vehicles (EV) has great potential due to easy implementation of torque control with direct-drive motors. However, the control system usually requires road-tire friction and…

Ensemble clustering is a fundamental problem in the machine learning field, combining multiple base clusterings into a better clustering result. However, most of the existing methods are unsuitable for large-scale ensemble clustering tasks…

Accurate and fast treatment of electron-electron interactions remains a central challenge in electronic structure theory because post-Hartree-Fock methods often suffered from the computational cost for 4-index electron repulsion integrals…

Many scientific problems require multiple distinct computational tasks to be executed in order to achieve a desired solution. We introduce the Ensemble Toolkit (EnTK) to address the challenges of scale, diversity and reliability they pose.…

Edge computing (EC), positioned near end devices, holds significant potential for delivering low-latency, energy-efficient, and secure services. This makes it a crucial component of the Internet of Things (IoT). However, the increasing…

ytopt is a Python machine-learning-based autotuning software package developed within the ECP PROTEAS-TUNE project. The ytopt software adopts an asynchronous search framework that consists of sampling a small number of input parameter…

An early-stage version of simulation package ' ELSES' (Extra-Large-Scale Electronic-Structure calculation) is developed for electronic structure and dynamics of large systems, particularly, nm-scale or 10nm-scale systems (www.elses.jp).…

Monte Carlo (MC) simulations are powerful computational tools for investigating thermodynamic behavior and validating analytical approaches in complex physical systems. Here we present ETHER (Efficient Tool for THermodynamics Exploration…

The development of new electronic structure methods is a very time consuming and error prone process when done by hand. SpinAdaptedSecondQuantization is an open-source Julia package we have developed for working with automated electronic…

With the aggressive scaling of VLSI technology, the explosion of layout patterns creates a critical bottleneck for DFM applications like OPC. Pattern clustering is essential to reduce data complexity, yet existing methods struggle with…