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We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density…

Computational Physics · Physics 2020-09-01 Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

Data driven models of dynamical systems help planners and controllers to provide more precise and accurate motions. Most model learning algorithms will try to minimize a loss function between the observed data and the model's predictions.…

Artificial Intelligence · Computer Science 2021-02-12 Clark Zhang , Santiago Paternain , Alejandro Ribeiro

A framework for statistical-mechanical analysis of quantum Hamiltonians is introduced. The approach is based upon a gradient flow equation in the space of Hamiltonians such that the eigenvectors of the initial Hamiltonian evolve toward…

Quantum Physics · Physics 2013-09-13 Dorje C. Brody , David C. P. Ellis , Darryl D. Holm

We explore a particular approach to the analysis of dynamical and geometrical properties of autonomous, Pfaffian non-holonomic systems in classical mechanics. The method is based on the construction of a certain auxiliary constrained…

Mathematical Physics · Physics 2009-11-10 Thomas Chen

The most common physical formalisms are the Lagrangian formalism and the Hamiltonian formalism. From the superficial point of view, they are one and the same, but rewritten in other terms. However, it seems that the Hamiltonian formalism…

Mathematical Physics · Physics 2020-04-01 Dmitry S. Kulyabov , Anna V. Korolkova , Migran N. Gevorkyan , Leonid A. Sevastianov

We consider a relativistic extended object described by a reparametrization invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the…

High Energy Physics - Theory · Physics 2009-11-10 Riccardo Capovilla , Jemal Guven , Efrain Rojas

We propose new symplectic networks (SympNets) for identifying Hamiltonian systems from data based on a composition of linear, activation and gradient modules. In particular, we define two classes of SympNets: the LA-SympNets composed of…

Machine Learning · Computer Science 2020-08-20 Pengzhan Jin , Zhen Zhang , Aiqing Zhu , Yifa Tang , George Em Karniadakis

The Hamiltonian Monte Carlo method generates samples by introducing a mechanical system that explores the target density. For distributions on manifolds it is not always simple to perform the mechanics as a result of the lack of global…

Computation · Statistics 2019-04-22 Alessandro Barp , Anthony Kennedy , Mark Girolami

This paper develops a new approach to small time local attainability of smooth manifolds of any dimension, possibly with boundary and to prove H\"older continuity of the minimum time function. We give explicit pointwise conditions of any…

Optimization and Control · Mathematics 2023-04-21 Pierpaolo Soravia

This paper is devoted to the study of symplectic manifolds and their connection with Hamiltonian dynamical systems. We review some properties and operations on these manifolds and see how they intervene when studying the complete…

Symplectic Geometry · Mathematics 2019-04-03 A. Lesfari

This paper presents a geometric description of Lagrangian and Hamiltonian systems on Lie affgebroids subject to affine nonholonomic constraints. We define the notion of nonholonomically constrained system, and characterize regularity…

Mathematical Physics · Physics 2009-11-13 D. Iglesias , J. C. Marrero , D. Martin de Diego , D. Sosa

This paper shows that various relevant dynamical systems can be described as vector fields associated to smooth functions via a bracket that defines what we call a Leibniz structure. We show that gradient flows, some dissipative systems,…

Dynamical Systems · Mathematics 2009-11-10 Juan-Pablo Ortega , Victor Planas-Bielsa

The singularity structure of solutions of a class of Hamiltonian systems of ordinary differential equations in two dependent variables is studied. It is shown that for any solution, all movable singularities, obtained by analytic…

Classical Analysis and ODEs · Mathematics 2013-12-17 Thomas Kecker

The reasons which restrict opportunities of classical mechanics at the description of nonequilibrium systems are discussed. The way of overcoming of the key restrictions is offered. This way is based on an opportunity of representation of…

General Physics · Physics 2012-05-14 V. M. Somsikov

The problem of proper symmetry definition for constraint dynamical systems with Hamiltonians is considered. Finally, we choose a definition of symmetry which agrees with the analogous definition used for the non-constraint dynamical systems…

Quantum Physics · Physics 2014-08-26 Alexei M. Frolov

Near-integrability is usually associated with smooth small perturbations of smooth integrable systems. Studying integrable mechanical Hamiltonian flows with impacts that respect the symmetries of the integrable structure provides an…

Chaotic Dynamics · Physics 2020-11-24 Michal Pnueli , Vered Rom-Kedar

Spinfoam models provide a covariant formulation of the dynamics of loop quantum gravity. They are non-perturbatively defined in the group field theory (GFT) framework: the GFT partition function defines the sum of spinfoam transition…

General Relativity and Quantum Cosmology · Physics 2015-05-28 Etera R. Livine , Daniele Oriti , James P. Ryan

Transport in Hamiltonian systems with weak chaotic perturbations has been much studied in the past. In this paper, we introduce a new class of problems: transport in Hamiltonian systems with slowly changing phase space structure that are…

Chaotic Dynamics · Physics 2019-10-02 Freddy Bouchet , Eric Woillez

The relative equilibria of a symmetric Hamiltonian dynamical system are the critical points of the so-called augmented Hamiltonian. The underlying geometric structure of the system is used to decompose the critical point equations and…

Differential Geometry · Mathematics 2007-05-23 Pascal Chossat , Debra Lewis , Juan-Pablo Ortega , Tudor S. Ratiu
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