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It is shown that the errors of present-day exchange-correlation (xc) functionals are rather short ranged. For extended systems the correction can therefore be evaluated by analyzing properly chosen clusters and employing highest-quality…

Materials Science · Physics 2009-11-13 Qing-Miao Hu , Karsten Reuter , Matthias Scheffler

Potential disagreement in the result induced by discontinuities is revealed in this paper between a novel power system transient simulation scheme using numerical integrators considering second order derivative and conventional ones using…

Systems and Control · Electrical Eng. & Systems 2021-06-08 Sheng Lei , Alexander Flueck

The resource management of a phase array system capable of multiple target tracking and surveillance is critical for the realization of its full potential. Present work aims to improve the performance of an existing method, time-balance…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Ömer Çayır , Çağatay Candan

Computer experiments have become ubiquitous in science and engineering. Commonly, runs of these simulations demand considerable time and computing, making experimental design extremely important in gaining high quality information with…

Statistics Theory · Mathematics 2017-05-15 Benjamin Haaland , Wenjia Wang , Vaibhav Maheshwari

Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…

In the paradigm of thermodynamic computing, instead of behaving deterministically, hardware undergoes a stochastic process in order to sample from a distribution of interest. While it has been hypothesized that thermodynamic computers may…

This paper will focus on the energy efficiency issue in Underwater Wireless Sensor Networks. In underwater environment, the two main issues are namely: reliability and energy efficiency. These two issues are twisted pair. Reliability…

Networking and Internet Architecture · Computer Science 2013-10-11 S. Pavan Kumar Reddy , Y. Ganesh Kumar Reddy , K. Chandra Mouli , U. Seshadri

Many real-world classification problems are significantly class-imbalanced to detriment of the class of interest. The standard set of proper evaluation metrics is well-known but the usual assumption is that the test dataset imbalance equals…

Machine Learning · Computer Science 2020-04-16 Jan Brabec , Tomáš Komárek , Vojtěch Franc , Lukáš Machlica

A well known problem with EOP prediction is that a prediction strategy proved to be the best for some testing period and prediction length may not remain as such for other period of time. In this paper we consider possible strategies to…

Geophysics · Physics 2009-11-20 Zinovy Malkin

The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…

Computational Physics · Physics 2023-03-23 Sebastian Falkner , Alessandro Coretti , Christoph Dellago

Seasonal climate variations affect electricity demand, which in turn affects month-to-month electricity planning and operations. Electricity system planning at the monthly timescale can be improved by adapting climate forecasts to estimate…

Systems and Control · Electrical Eng. & Systems 2019-11-12 A. R. de Queiroz , D. Mulcahy , A. Sankarasubramanian , J. P. Deane , G. Mahinthakumar , N. Lu , J. F. DeCarolis

When the traded energy and reserve products between zones are co-allocated to optimize the infrastructure usage, both deterministic and stochastic flows have to be accounted for on interconnector lines. We focus on allocation models, which…

General Finance · Quantitative Finance 2025-11-05 Dávid Csercsik , Ádám Sleisz

We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in…

Statistical Mechanics · Physics 2009-10-31 Yuji Sugita , Akio Kitao , Yuko Okamoto

Quantum sensing encompasses highly promising techniques with diverse applications including noise-reduced imaging, super-resolution microscopy as well as imaging and spectroscopy in challenging spectral ranges. These detection schemes use…

Quantum Physics · Physics 2022-11-23 Felix Riexinger , Mirco Kutas , Björn Haase , Michael Bortz , Georg von Freymann

In this work, a space-time scheme for goal-oriented a posteriori error estimation is proposed. The error estimator is evaluated using a partition-of-unity dual-weighted residual method. As application, a low mach number combustion equation…

Numerical Analysis · Mathematics 2021-12-24 Jan Philipp Thiele , Thomas Wick

One way to investigate the precision of estimates likely to result from planned experiments and planned epidemiological studies is to simulate a large number of possible outcomes and analyse the sets of possible results. This appears to be…

Computation · Statistics 2013-06-28 G. K. Robinson , L. M. Ryan

Energy system models based on linear programming have been growing in size with the increasing need to model renewables with high spatial and temporal detail. Larger models lead to high computational requirements. Furthermore, seemingly…

Physics and Society · Physics 2022-11-23 Manuel Bröchin , Bryn Pickering , Tim Tröndle , Stefan Pfenninger

The optimization-based design of renewable energy systems is a computationally demanding task because of the high temporal fluctuation of supply and demand time series. In order to reduce these time series, the aggregation of typical…

Optimization and Control · Mathematics 2018-02-01 Leander Kotzur , Peter Markewitz , Martin Robinius , Detlef Stolten

System performance for networks composed of interconnected subsystems can be increased if the traditionally separated subsystems are jointly optimized. Recently, parallel and distributed optimization methods have emerged as a powerful tool…

Optimization and Control · Mathematics 2013-02-14 Ion Necoara , Valentin Nedelcu , Ioan Dumitrache

Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulation and experiment: on the one hand, the frequent lack of a…

Materials Science · Physics 2018-06-29 Francesca Peccati , Rubén Laplaza , Julia Contreras-García