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We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…

We report the experimental implementation of the Dicke model in the semiclassical approximation, which describes a large number of two-level atoms interacting with a single-mode electromagnetic field in a perfectly reflecting cavity. This…

We construct flexible spatio-temporal models through stochastic partial differential equations (SPDEs) where both diffusion and advection can be spatially varying. Computations are done through a Gaussian Markov random field approximation…

Methodology · Statistics 2024-10-29 Martin Outzen Berild , Geir-Arne Fuglstad

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on…

Machine Learning · Computer Science 2023-02-17 Zhiqing Sun , Yiming Yang , Shinjae Yoo

The dynamical behaviours of a kinetically constrained spin model (Fredrickson-Andersen model) on a Bethe lattice are investigated by a perturbation analysis that provides exact final states above the nonergodic transition point. It is…

Statistical Mechanics · Physics 2015-05-19 Hiroki Ohta

The shifted Tietz-Wei (sTW) oscillator is as good as traditional Morse potential in simulating the atomic interaction in diatomic molecules. By using the Pekeris-type approximation to deal with the centrifugal term, we obtain the…

Chemical Physics · Physics 2015-04-22 Babatunde J. Falaye , Sameer M. Ikhdair , Majid Hamzavi

The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…

Computational Physics · Physics 2018-01-22 S. Rudinsky , A. S. Sanz , R. Gauvin

The growing market and massive use of Internet of Things nodes is placing unprecedented demands of energy efficient hardware for edge computing and microwave devices. In particular, magnetic tunnel junctions (MTJs), as main building blocks…

We present a framework and algorithms to learn controlled dynamics models using neural stochastic differential equations (SDEs) -- SDEs whose drift and diffusion terms are both parametrized by neural networks. We construct the drift term to…

Machine Learning · Computer Science 2023-10-17 Franck Djeumou , Cyrus Neary , Ufuk Topcu

We present a framework that leverages the Discrete Empirical Interpolation Method (DEIM) for interpretable deep learning and dynamical system analysis. Although DEIM efficiently approximates nonlinear terms in projection-based reduced-order…

Machine Learning · Computer Science 2026-04-03 Hojin Kim , Romit Maulik

Stochastic Partial Differential Equations (SPDEs) driven by random noise play a central role in modeling physical processes with rough spatio-temporal dynamics, such as turbulence flows, superconductors, and quantum dynamics. Although…

Machine Learning · Computer Science 2026-05-18 Yuantu Zhu , Zheyan Li , Dai Shi , Luke Thompson , Oliver Nash , Jose Miguel Lara Rangel , Siran Li , Bingguang Chen , Rongchan Zhu , Qi Meng , Hao Ni

Finite element analysis (FEA) has been widely used to generate simulations of complex and nonlinear systems. Despite its strength and accuracy, the limitations of FEA can be summarized into two aspects: a) running high-fidelity FEA often…

Machine Learning · Computer Science 2020-12-15 Yinan Wang , Kaiwen Wang , Wenjun Cai , Xiaowei Yue

We theoretically investigate spin-polarized transport in a system composed of a ferromagnetic Scanning Tunneling Microscope (STM) tip coupled to an adsorbed atom (adatom) on a host surface. Electrons can tunnel directly from the tip to the…

Mesoscale and Nanoscale Physics · Physics 2011-09-21 P. H. Penteado , F. M. Souza , A. C. Seridonio , E. Vernek , J. C. Egues

It has recently been shown that the evolution of a linear Partial Differential Equation (PDE) can be more conveniently represented in terms of the evolution of a higher spatial derivative of the state. This higher spatial derivative (termed…

Analysis of PDEs · Mathematics 2023-09-12 Declan Jagt , Peter Seiler , Matthew Peet

We consider solution of stochastic storage problems through regression Monte Carlo (RMC) methods. Taking a statistical learning perspective, we develop the dynamic emulation algorithm (DEA) that unifies the different existing approaches in…

Computational Finance · Quantitative Finance 2018-04-02 Michael Ludkovski , Aditya Maheshwari

This paper aims to investigate the numerical approximation of a general second order parabolic stochastic partial differential equation(SPDE) driven by multiplicative and additive noise. Our main interest is on such SPDEs where the…

Numerical Analysis · Mathematics 2020-11-19 Jean Daniel Mukam , Antoine Tambue

We study the transverse spin-Seebeck effect (SSE) on the surface of a three-dimensional topological insulator (TI) thin film, such as Bi$_2$Se$_3$, which is sandwiched between two normal metal leads. The temperature bias $\Delta T$ applied…

Mesoscale and Nanoscale Physics · Physics 2014-06-17 Po-Hao Chang , Farzad Mahfouzi , Naoto Nagaosa , Branislav K. Nikolic

We propose RHYME-XT, an operator-learning framework for surrogate modeling of spatiotemporal control systems governed by input-affine nonlinear partial integro-differential equations (PIDEs) with localized rhythmic behavior. RHYME-XT uses a…

Machine Learning · Computer Science 2026-03-19 Marijn Ruiter , Miguel Aguiar , Jake Rap , Karl H. Johansson , Amritam Das

The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…

Materials Science · Physics 2026-05-11 Timo Gräßer , Götz S. Uhrig , Matthias Ernst

High-fidelity direct numerical simulation of turbulent flows for most real-world applications remains an outstanding computational challenge. Several machine learning approaches have recently been proposed to alleviate the computational…