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We employ the k-th nearest-neighbor estimator of configurational entropy in order to decode within a parameter-free numerical approach the complex high-order structural correlations in fluxional molecules going beyond the usual linear,…

Chemical Physics · Physics 2020-10-20 Rafal Topolnicki , Fabien Brieuc , Christoph Schran , Dominik Marx

Dissipaton-equation-of-motion (DEOM) theory [Y. J. Yan, J. Chem. Phys. 140, 054105 (2014)] is an exact and nonperturbative many-particle method for open quantum systems. The existing dissipaton algebra treats also the dynamics of hybrid…

Chemical Physics · Physics 2020-01-24 Yao Wang , Rui-Xue Xu , YiJing Yan

The paper presents a two-dimensional geometrically nonlinear formulation of a beam element that can accommodate arbitrarily large rotations of cross sections. The formulation is based on the integrated form of equilibrium equations, which…

Numerical Analysis · Mathematics 2021-04-20 Milan Jirásek , Emma La Malfa Ribolla , Martin Horák

A Response Function Theory and Scattering Theory applicable to the study of physical properties of systems driven arbitrarily away from equilibrium, specialized for dealing with ultrafast processes and in conditions of space resolution…

Statistical Mechanics · Physics 2012-10-31 Clóves G. Rodrigues , Áurea R. Vasconcellos , José Galvão Ramos , Roberto Luzzi

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

Computational Physics · Physics 2015-12-23 Swarnava Ghosh , Phanish Suryanarayana

We study nonequilibrium evolution in a self-interacting quantum field theory invariant under space translation only by using a canonical approach based on the recently developed Liouville-von Neumann formalism. The method is first used to…

High Energy Physics - Phenomenology · Physics 2009-11-10 Supratim Sengupta , F. C. Khanna , Sang Pyo Kim

This study presents a fractional-order continuum mechanics approach that allows combining selected characteristics of nonlocal elasticity, typical of classical integral and gradient formulations, under a single frame-invariant framework.…

Numerical Analysis · Mathematics 2020-05-21 Sansit Patnaik , Sai Sidhardh , Fabio Semperlotti

Accurate modeling of spin-orbit coupling and noncollinear magnetism requires noncollinear density functionals within the two-component generalized Kohn-Sham (GKS) framework, yet constructing and implementing noncollinear functionals remains…

Materials Science · Physics 2025-11-26 Xiaoyu Zhang , Taoni Bao

Modern vertical take-off and landing vehicles (VTOLs) could significantly affect the future of mobility. The broad range of their application fields encompasses urban air mobility, transportation and logistics as well as reconnaissance and…

Optimization and Control · Mathematics 2023-03-07 Viktoriya Nikitina , Sergejs Rogovs , Matthias Gerdts

Convolutions are one of the most relevant operations in artificial intelligence (AI) systems. High computational complexity scaling poses significant challenges, especially in fast-responding network-edge AI applications. Fortunately, the…

The power of multivariate functions is their ability to model a wide variety of phenomena, but have the disadvantages that they lack an intuitive or interpretable representation, and often require a (very) large number of parameters. We…

Numerical Analysis · Computer Science 2018-05-23 Philippe Dreesen , Jeroen De Geeter , Mariya Ishteva

Strongly interacting systems can be described in terms of correlation functions at various orders. A quantum analog of high-order correlations is the topological entanglement in topologically ordered states of matter at zero temperature,…

Quantum Physics · Physics 2023-11-08 Shi Feng , Deqian Kong , Nandini Trivedi

Complete information on the equilibrium behaviour and dynamics of a quantum field theory (QFT) is provided by multipoint correlation functions. However, their theoretical calculation is a challenging problem, even for exactly solvable…

Statistical Mechanics · Physics 2018-09-19 Ivan Kukuljan , Spyros Sotiriadis , Gabor Takacs

The Neural Tangent Kernel (NTK) framework has provided deep insights into the training dynamics of neural networks under gradient flow. However, it relies on the assumption that the network is differentiable with respect to its parameters,…

Machine Learning · Computer Science 2025-09-17 Sriram Nagaraj , Vishakh Hari

In this series of eight papers we present the applications of methods from wavelet analysis to polynomial approximations for a number of accelerator physics problems. In this part we consider a model for spin-orbital motion: orbital…

Accelerator Physics · Physics 2007-05-23 Antonina N. Fedorova , Michael G. Zeitlin

Multi-object nonprehensile transportation in teleoperation demands simultaneous trajectory tracking and tray orientation control. Existing methods often struggle with model dependency, uncertain parameters, and multi-object adaptability. We…

Robotics · Computer Science 2026-04-09 Xinyang Fan , Zhaoyang Chen , Shu Xin , Yi Ren , Zainan Jiang , Fenglei Ni , Hong Liu

This paper presents a novel framework for high-dimensional nonlinear quantum computation that exploits tensor products of amplified vector and matrix encodings to efficiently evaluate multivariate polynomials. The approach enables the…

Quantum Physics · Physics 2025-10-01 Matthias Deiml , Daniel Peterseim

In this work, we investigate a model order reduction scheme for high-fidelity nonlinear structured parametric dynamical systems. More specifically, we consider a class of nonlinear dynamical systems whose nonlinear terms are polynomial…

Dynamical Systems · Mathematics 2023-01-24 Pawan Goyal , Igor Pontes Duff , Peter Benner

This paper presents a novel methodology for the direct numerical modeling and simulation of turbulent flows. The kinetic model equation is firstly extended to turbulent flow with the account of coupled evolution of kinetic, thermal, and…

Computational Physics · Physics 2025-03-11 Xiaojian Yang , Kun Xu

We present a hybrid scheme based on classical density functional theory and machine learning for determining the equilibrium structure and thermodynamics of inhomogeneous fluids. The exact functional map from the density profile to the…

Soft Condensed Matter · Physics 2023-12-12 Florian Sammüller , Sophie Hermann , Daniel de las Heras , Matthias Schmidt
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