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Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To address this shortcoming, in previous work we transformed DFT…

Chemical Physics · Physics 2023-01-02 Daniel Gibney , Jan-Niklas Boyn , David A. Mazziotti

The presence of interharmonics in power systems can lead to asynchronous sampling, a phenomenon further aggravated by shifts in the fundamental frequency, which significantly degrades the accuracy of power measurements. Under such…

Signal Processing · Electrical Eng. & Systems 2026-01-30 Jian Liu , Wei Zhao , Jianting Zhao , Shisong Li

Data plane verification (DPV) analyzes routing tables and detects routing abnormalities and policy violations during network operation and planning. Thus, it has become an important tool to harden the networking infrastructure and the…

Networking and Internet Architecture · Computer Science 2025-03-25 Shenshen Chen , Jian Luo , Dong Guo , Kai Gao , Yang Richard Yang

Density Functional Theory (DFT) is a powerful and accurate tool exploited in Nuclear Physics to investigate the ground-state and some collective properties of nuclei along the whole nuclear chart. Models based on DFT are, however, not…

Nuclear Theory · Physics 2017-10-26 X. Roca-Maza , Y. F. Niu , G. Colò , P. F. Bortignon

This paper proposes a Decision Tree (DT) based detection and classification of internal faults in a power transformer. The faults are simulated in Power System Computer Aided Design (PSCAD)/ Electromagnetic Transients including DC (EMTDC)…

Signal Processing · Electrical Eng. & Systems 2021-06-01 Samita Rani Pani , Pallav Kumar Bera , Vajendra Kumar

The need to model and analyse dynamic systems operating over complex data is ubiquitous in AI and neighboring areas, in particular business process management. Analysing such data-aware systems is a notoriously difficult problem, as they…

Logic in Computer Science · Computer Science 2023-10-20 Alessandro Gianola , Marco Montali , Sarah Winkler

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when…

Materials Science · Physics 2026-05-27 Penghui Yang , Zhonghan Zhang , Yue Li , Xinrun Wag , Yanchen Deng , Yuhao Lu , Bijun Tang , Zheng Liu , Bo An

One of the important tasks of the Reliability Estimation is Analysis of the Fault Tree. A problem of Fault Trees analysis is considered one of the most complex ones, since structure of such trees is characterized by a considerable number of…

Software Engineering · Computer Science 2016-02-12 Sergey Porotsky

Cause-consequence Diagram (CCD) is widely used as a deductive safety analysis technique for decision-making at the critical-system design stage. This approach models the causes of subsystem failures in a highly-critical system and their…

Formal Languages and Automata Theory · Computer Science 2021-01-21 Mohamed Abdelghany , Sofiene Tahar

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

The analysis of complex dynamic systems is a core research topic in formal methods and AI, and combined modelling of systems with data has gained increasing importance in applications such as business process management. In addition,…

Logic in Computer Science · Computer Science 2022-05-19 Paolo Felli , Marco Montali , Sarah Winkler

Deep reinforcement learning (DRL) has emerged as a powerful paradigm for solving complex decision-making problems. However, DRL-based systems still face significant dependability challenges particularly in real-time environments due to the…

Software Engineering · Computer Science 2026-03-25 Guoxin Su , Thomas Robinson , Hoa Khanh Dam , Li Liu , David S. Rosenblum

The control design tools for linear systems typically involves pole placement and computing Lyapunov functions which are useful for ensuring stability. But given higher requirements on control design, a designer is expected to satisfy other…

Systems and Control · Electrical Eng. & Systems 2023-11-28 Manish Goyal , David Bergman , Parasara Sridhar Duggirala

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…

Chemical Physics · Physics 2022-04-18 Daniel Gibney , Jan-Niklas Boyn , David A. Mazziotti

Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…

Chemical Physics · Physics 2019-08-19 Stefan Vuckovic , Suhwan Song , John Kozlowski , Eunji Sim , Kieron Burke

Fault-tolerant distributed algorithms are central for building reliable spatially distributed systems. Unfortunately, the lack of a canonical precise framework for fault-tolerant algorithms is an obstacle for both verification and…

Formal Languages and Automata Theory · Computer Science 2012-10-16 Annu John , Igor Konnov , Ulrich Schmid , Helmut Veith , Josef Widder

Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…

Statistical Mechanics · Physics 2026-05-19 Yashwant Singh

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems.…

Soft Condensed Matter · Physics 2020-12-29 Michael te Vrugt , Hartmut Löwen , Raphael Wittkowski

Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…

Chemical Physics · Physics 2022-03-25 Marcel David Fabian , Ben Shpiro , Eran Rabani , Daniel Neuhauser , Roi Baer

Fault Tree Analysis (FTA) is a prominent technique in industrial and scientific risk assessment. Repairable Fault Trees (RFT) enhance the classical Fault Tree (FT) model by introducing the possibility to describe complex dependent repairs…

Formal Languages and Automata Theory · Computer Science 2019-10-24 Raul E. Monti , Pedro R. D'Argenio , Carlos E. Budde