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We study laser-driven isomerization reactions through an excited electronic state using the recently developed Geometrical Optimization procedure [J. Phys. Chem. Lett. 6, 1724 (2015)]. The goal is to analyze whether an initial wave packet…

Chemical Physics · Physics 2018-02-07 Bo Y. Chang , Seokmin Shin , Volker Engel , Ignacio R. Sola

Manipulating deformable and fragile objects remains a fundamental challenge in robotics due to complex contact dynamics and strict requirements on object integrity. Existing approaches typically optimize either end-effector design or…

Robotics · Computer Science 2026-02-23 Kei Ikemura , Yifei Dong , Florian T. Pokorny

Electromagnetic metasurfaces offer the capability to realize almost arbitrary power conserving field transformations. These field transformations are governed by the generalized sheet transition conditions, which relate the tangential…

Applied Physics · Physics 2020-11-19 Stewart Pearson , Sean V. Hum

This investigation is motivated by the problem of optimal design of cooling elements in modern battery systems. We consider a simple model of two-dimensional steady-state heat conduction described by elliptic partial differential equations…

Numerical Analysis · Mathematics 2013-07-05 Xiaohui Peng , Katsiaryna Niakhai , Bartosz Protas

Quantum tomography is a process of quantum state reconstruction using data from multiple measurements. An essential goal for a quantum tomography algorithm is to find measurements that will maximize the useful information about an unknown…

Quantum Physics · Physics 2020-08-05 A. D. Moiseevskiy , G. I. Struchalin , S. S. Straupe , S. P. Kulik

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms…

Computer Vision and Pattern Recognition · Computer Science 2017-09-13 Benjamin Berkels , Benedikt Wirth

A continuous system of moment equations is introduced that models the transverse dynamics of a beam of charged particles as it passes through an arbitrary lattice of quadrupoles and solenoids in the presence of self-fields. Then, figures of…

Accelerator Physics · Physics 2022-04-20 L. Dovlatyan , B. L. Beaudoin , S. Bernal , I. Haber , D. Sutter , T. M. Antonsen

Higher-order numerical methods are used to find accurate numerical solutions to hyperbolic partial differential equations and equations of transport type. Limiting is required to either converge to the correct type of solution or to adhere…

Numerical Analysis · Mathematics 2024-07-10 James Woodfield

A consensus-based optimization (CBO) algorithm, which enables derivative and mesh-free optimization, is presented to localize a bioluminescent source. The light propagation is modeled by the radiative transfer equation approximated by…

Quantitative Methods · Quantitative Biology 2024-11-04 Jan Friedrich , Sarah Schraven , Fabian Kiessling , Michael Herty

Interfacial energy plays an important role in equilibrium morphologies of nanosized microstructures of solid materials due to the high interface-to-volume ratio, and can no longer be neglected as it does in conventional mechanics analysis.…

Numerical Analysis · Mathematics 2012-10-22 Xujun Zhao , Stéphane P. A. Bordas , Jianmin Qu

An efficient numerical method is developed using the matrix product formalism for computing the properties at finite energy densities in one-dimensional (1D) many-body localized (MBL) systems. Arguing that any efficient (possibly quantum)…

Disordered Systems and Neural Networks · Physics 2015-08-20 Yichen Huang

In this article, we present a general mode-conversion algorithm allowing to build an optical system composed of an alternation of phase masks and free propagations. The originality of our approach lies in the introduction of free parameters…

Computational Physics · Physics 2020-06-08 Nicolas Barré

Optimizing shapes and topology of physical devices is crucial for both scientific and technological advancements, given its wide-ranging implications across numerous industries and research areas. Innovations in shape and topology…

Computational Physics · Physics 2023-10-02 Alexander Luce , Rasoul Alaee , Fabian Knorr , Florian Marquardt

Aerodynamic shape optimization has many industrial applications. Existing methods, however, are so computationally demanding that typical engineering practices are to either simply try a limited number of hand-designed shapes or restrict…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Pierre Baqué , Edoardo Remelli , François Fleuret , Pascal Fua

One of the main limitations of variational quantum algorithms is the classical optimization of the highly dimensional non-convex variational parameter landscape. To simplify this optimization, we can reduce the search space using problem…

Quantum Physics · Physics 2025-08-28 Isak Lyngfelt , Laura García-Álvarez

Designing a freeform surface to reflect or refract light to achieve a target distribution is a challenging inverse problem. In this paper, we propose an end-to-end optimization strategy for an optical surface mesh. Our formulation leverages…

Graphics · Computer Science 2025-05-08 Yuou Sun , Bailin Deng , Juyong Zhang

We present a framework for quantization of electromagnetic field in the presence of dielectric media with time-varying optical properties. Considering a microscopic model for the dielectric as a collection of matter fields interacting with…

Quantum Physics · Physics 2023-11-15 Ashwith Prabhu , Jennifer Parra-Contreras , Elizabeth A. Goldschmidt , Kanu Sinha

Simulating interactions between deformable bodies is vital in fields like material science, mechanical design, and robotics. While learning-based methods with Graph Neural Networks (GNNs) are effective at solving complex physical systems,…

Machine Learning · Computer Science 2025-07-21 Hao Wang , Yu Liu , Daniel Biggs , Haoru Wang , Jiandong Yu , Ping Huang

We use moment techniques to construct a converging hierarchy of optimization problems to lower bound the ground state energy of interacting particle systems. We approximate (from below) the infinite dimensional optimization problems in this…

Optimization and Control · Mathematics 2019-11-12 David de Laat

In this paper, we present a novel framework for deriving the evolution equation of the level set function in topology optimization, departing from conventional Hamilton-Jacobi based formulations. The key idea is the introduction of an…

Optimization and Control · Mathematics 2025-09-09 Jan Oellerich , Takayuki Yamada