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In this paper, we propose a semi-parametric model for autonomous nonlinear dynamical systems and devise an estimation procedure for model fitting. This model incorporates subject-specific effects and can be viewed as a nonlinear…

Methodology · Statistics 2009-06-19 Debashis Paul , Jie Peng , Prabir Burman

Gate-layouts of spin qubit devices are commonly adapted from previous successful devices. As qubit numbers and the device complexity increase, modelling new device layouts and optimizing for yield and performance becomes necessary.…

Semiconductor heterostructures have played a critical role as the enabler for new science and technology. The emergence of transition metal dichalcogenides (TMDs) as atomically thin semiconductors has opened new frontiers in semiconductor…

We show how to resolve coherent low-energy features embedded in a broad high-energy background by use of a fully self-consistent calculation for composite particle operators. The method generalizes the formulation of Roth, which linearizes…

Strongly Correlated Electrons · Physics 2007-05-23 D. Villani , E. Lange , A. Avella , G. Kotliar

Inspired by the key principle behind the EM algorithm, we propose a general methodology for conducting wavelet estimation with irregularly-spaced data by viewing the data as the observed portion of an augmented regularly-spaced data set. We…

Statistics Theory · Mathematics 2007-06-13 Thomas C. M. Lee , Xiao-Li Meng

We consider the problem of analyzing the structure of spectroscopic cubes using unsupervised machine learning techniques. We propose representing the target's signal as a homogeneous set of volumes through an iterative algorithm that…

Instrumentation and Methods for Astrophysics · Physics 2018-06-15 Mauricio Araya , Marcelo Mendoza , Mauricio Solar , Diego Mardones , Amelia Bayo

Supervised learning models, also known as quantitative structure-activity regression (QSAR) models, are increasingly used in assisting the process of preclinical, small molecule drug discovery. The models are trained on data consisting of a…

Applications · Statistics 2020-01-08 Oliver P Watson , Isidro Cortes-Ciriano , James A Watson

Faster, cheaper, and more power efficient optimization solvers than those currently offered by general-purpose solutions are required for extending the use of model predictive control (MPC) to resource-constrained embedded platforms. We…

Systems and Control · Computer Science 2017-10-13 Juan L. Jerez , Paul J. Goulart , Stefan Richter , George A. Constantinides , Eric C. Kerrigan , Manfred Morari

Semiconductor quantum dots operated dynamically are the basis of many quantum technologies such as quantum sensors and computers. Hence, modelling their electrical properties at microwave frequencies becomes essential to simulate their…

Mesoscale and Nanoscale Physics · Physics 2024-10-24 L. Peri , G. A. Oakes , L. Cochrane , C. J. B. Ford , M. F. Gonzalez-Zalba

In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in…

Strongly Correlated Electrons · Physics 2015-06-03 Jian-Zhou Zhao , Jia-Ning Zhuang , Xiao-Yu Deng , Yan Bi , Ling-Cang Cai , Zhong Fang , Xi Dai

The homogenization of eigenvalues of non-Hermitian Maxwell operators is studied by the H-convergence method. It is assumed that the Maxwell systems are equipped with suitable m-dissipative boundary conditions, namely, with Leontovich or…

Analysis of PDEs · Mathematics 2026-01-23 Matthias Eller , Illya M. Karabash

We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to…

Chemical Physics · Physics 2018-08-20 Pavlo O. Dral , Alec Owens , Sergei N. Yurchenko , Walter Thiel

The Schr\"odinger equation and Bloch theorem are applied to examine a system of protons confined within a periodic potential, accounting for deviations from ideal harmonic behavior due to real-world conditions like truncated and…

General Physics · Physics 2024-05-08 L. Gamberale , G. Modanese

Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system,…

Beyond the scope of space-coding metasurfaces, space-time digital metasurfaces can substantially expand the application scope of digital metamaterials in which simultaneous manipulation of electromagnetic waves in both space and frequency…

Applied Physics · Physics 2020-10-28 Javad Shabanpour

This paper proposes a sequential design for maximizing a stochastic computer simulator output, y(x), over an unknown optimization domain. The training data used to estimate the optimization domain are a set of (historical) inputs, often…

Methodology · Statistics 2020-12-17 François Bachoc , Théo Barthe , Thomas Santner , Yann Richet

We have developed the quasiparticle self-consistent GW (QSGW) method based on a recently developed mixed basis all-electron full-potential method (the PMT method), which uses the augmented plane waves (APWs) and the highly localized…

Materials Science · Physics 2014-08-18 Takao Kotani

Building on previous research on frequency allocation optimization for superconducting circuit quantum processors, this work incorporates several new techniques to improve overall solution quality. New features include tightening…

Quantum Physics · Physics 2025-01-27 Zewen Zhang , Pranav Gokhale , Jeffrey M. Larson

Spatially structured light fields applied to semiconductor quantum dots yield fundamentally different absorption spectra than homogeneous beams. In this paper, we theoretically discuss the resulting spectra for different light beams using a…

Mesoscale and Nanoscale Physics · Physics 2020-11-04 M. Holtkemper , G. F. Quinteiro , D. E. Reiter , T. Kuhn

We introduce a versatile and scalable framework for constructing effective models of superconducting (SC) nanostructures described by the generalized SC Anderson impurity model with multiple quantum dots and leads. Our Chain Expansion (ChE)…

Mesoscale and Nanoscale Physics · Physics 2025-11-21 Daniel Bobok , Lukáš Frk , Vladislav Pokorný , Martin Žonda