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The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…

Materials Science · Physics 2007-05-23 Abduxukur Abdurixit , Alexis Baratoff , Giulia Galli

We examine several numerical techniques for the calculation of the dynamics of quantum systems. In particular, we single out an iterative method which is based on expanding the time evolution operator into a finite series of Chebyshev…

Strongly Correlated Electrons · Physics 2015-05-13 Holger Fehske , Jens Schleede , Gerald Schubert , Gerhard Wellein , Vladimir S. Filinov , Alan R. Bishop

High Peclet number, turbulent convection is a classic system with a large timescale separation between flow speeds and the thermal relaxation time. In this paper, we present a method of fast-forwarding through the long thermal relaxation of…

Fluid Dynamics · Physics 2018-08-29 Evan H. Anders , Benjamin P. Brown , Jeffrey S. Oishi

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…

Materials Science · Physics 2023-12-12 Jin Zhang , Alexander F. Chadwick , Peter W. Voorhees

We consider the identification of heterogeneous linear elastic moduli in the context of time-harmonic elastodynamics. This inverse problem is formulated as the minimization of the modified error in constitutive equation (MECE), an…

Analysis of PDEs · Mathematics 2018-12-11 Wilkins Aquino , Marc Bonnet

We rigorously investigate the quantum non-Markovian dissipative dynamics of a system coupled to a harmonic oscillator bath by deriving hierarchical Schrodinger equations of motion (HSEOM) and studying their dynamics. The HSEOM are the…

Quantum Physics · Physics 2018-07-11 Kiyoto Nakamura , Yoshitaka Tanimura

We introduce a general framework for many-body force field models, the Completely Multipolar Model (CMM), that utilizes multipolar electrical moments modulated by exponential decay of electron density as a common functional form for all…

Chemical Physics · Physics 2024-06-25 Joseph P. Heindel , Selim Sami , Teresa Head-Gordon

Massive volumes of high-dimensional data that evolves over time is continuously collected by contemporary information processing systems, which brings up the problem of organizing this data into clusters, i.e. achieve the purpose of…

Machine Learning · Computer Science 2019-10-22 Di Xu , Tianhang Long , Junbin Gao

In this Letter we present a new method, called chain equation method (CEM), for computing a cascade of distinct modes in a two-dimensional weakly nonlinear wave system generated by narrow frequency band excitation. The CEM is a means for…

Fluid Dynamics · Physics 2012-02-06 Elena Kartashova

We study the dynamics of thermalization and the approach to equilibrium in the classical phi^4 theory in 1+1 spacetime dimensions. At thermal equilibrium we exploit the equivalence between the classical canonical averages and transfer…

High Energy Physics - Phenomenology · Physics 2014-11-17 D. Boyanovsky , C. Destri , H. J. de Vega

Considering the space-time adaptive method for parabolic evolution equations introduced in [arXiv:2101.03956 [math.NA]], this work discusses an implementation of the method in which every step is of linear complexity. Exploiting the product…

Numerical Analysis · Mathematics 2021-04-20 Raymond van Venetië , Jan Westerdiep

We provide a quantum method for simulating Hamiltonian evolution with complexity polynomial in the logarithm of the inverse error. This is an exponential improvement over existing methods for Hamiltonian simulation. In addition, its scaling…

Quantum Physics · Physics 2013-10-24 Dominic W. Berry , Richard Cleve , Rolando D. Somma

Construction, in the framework of a Nonequilibrium Statistical Ensemble Formalism, of a Mesoscopic Hydro-Thermodynamics, that is, covering phenomena involving motion displaying variations short in space and fast in time -unrestricted values…

Fluid Dynamics · Physics 2012-10-30 C. A. B. Silva , J. G. Ramos , A. R. Vasconcellos , R. Luzzi

Partial differential equations (PDEs) are central to computational electromagnetics (CEM) and photonic design, but classical solvers face high costs for large or complex structures. Quantum Hamiltonian simulation provides a framework to…

Quantum Physics · Physics 2025-10-07 Hiroyuki Tezuka , Yuki Sato

Ensemble modeling has been widely used to solve complex problems as it helps to improve overall performance and generalization. In this paper, we propose a novel TemporalAugmenter approach based on ensemble modeling for augmenting the…

Machine Learning · Computer Science 2024-01-17 Nelly Elsayed , Constantinos L. Zekios , Navid Asadizanjani , Zag ElSayed

Taking the continuum limit is essential for extracting physical observables from quantum simulations of lattice gauge theories. Achieving the correct continuum limit requires careful control of all systematic uncertainties, including those…

High Energy Physics - Lattice · Physics 2025-06-23 Christopher F. Kane , Siddharth Hariprakash , Christian W. Bauer

We propose a solution to the problem of time for systems with a single global Hamiltonian constraint. Our solution stems from the observation that, for these theories, conventional gauge theory methods fail to capture the full classical…

General Relativity and Quantum Cosmology · Physics 2015-05-30 Sean Gryb , Karim Thebault

The problem of time in canonical quantum gravity remains one of the most significant challenges, primarily due to the "frozen" formalism emerging from the Wheeler-DeWitt equation. Within the ADM formalism, we introduce a novel approach in…

General Relativity and Quantum Cosmology · Physics 2025-12-02 Pradosh Keshav MV

We present a relational framework in which temporal structure is not fundamental but emerges from correlations within a globally stationary quantum state. Each subsystem includes an internal clock, and conditional states evolve effectively…

Quantum Physics · Physics 2025-12-19 Amir Hossein Ghasemi

We present a novel way of modeling common envelope evolution in binary and few-body systems. We consider the common envelope inspiral as driven by a drag force with a power-law dependence in relative distance and velocity. The orbital…