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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

In this paper we propose a systematic method to solve the inverse dynamical problem for a quantum system governed by the von Neumann equation: to find a class of Hamiltonians reproducing a prescribed time evolution of a pure or mixed state…

Quantum Physics · Physics 2013-07-09 J Bernatska , A Messina

In recent works we have used quantum tools in the analysis of the time evolution of several macroscopic systems. The main ingredient in our approach is the self-adjoint Hamiltonian $H$ of the system $\Sc$. This Hamiltonian quite often, and…

Quantum Physics · Physics 2019-10-23 Fabio Bagarello

Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

Concise, accurate descriptions of physical systems through their conserved quantities abound in the natural sciences. In data science, however, current research often focuses on regression problems, without routinely incorporating…

Computational Physics · Physics 2020-02-05 Tom Bertalan , Felix Dietrich , Igor Mezić , Ioannis G. Kevrekidis

Recently, variational quantum metrology was proposed for Hamiltonians with multiplicative parameters, wherein the estimation precision can be optimized via variational circuits. However, systems with generic Hamiltonians still lack these…

Quantum Physics · Physics 2023-09-25 Le Bin Ho

An isolated system of interacting quantum particles is described by a Hamiltonian operator. Hamiltonian models underpin the study and analysis of physical and chemical processes throughout science and industry, so it is crucial they are…

Learning about physical systems from quantum-enhanced experiments, relying on a quantum memory and quantum processing, can outperform learning from experiments in which only classical memory and processing are available. Whereas quantum…

Quantum Physics · Physics 2024-06-21 Matthias C. Caro

This paper is concerned with variational methods for nonlinear open quantum systems with Markovian dynamics governed by Hudson-Parthasarathy quantum stochastic differential equations. The latter are driven by quantum Wiener processes of the…

Quantum Physics · Physics 2016-11-17 Igor G. Vladimirov

Characterizing time-periodic Hamiltonians is pivotal for validating and controlling driven quantum platforms, yet prevailing and unadjusted reconstruction methods demand dense time-domain sampling and heavy post-processing. We introduce a…

Quantum Physics · Physics 2025-09-03 Keren Li

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual…

Reliable autonomous navigation requires adapting the control policy of a mobile robot in response to dynamics changes in different operational conditions. Hand-designed dynamics models may struggle to capture model variations due to a…

Robotics · Computer Science 2024-03-14 Abdullah Altawaitan , Jason Stanley , Sambaran Ghosal , Thai Duong , Nikolay Atanasov

We present a quantum algorithm to achieve higher-order transformations of Hamiltonian dynamics. Namely, the algorithm takes as input a finite number of queries to a black-box seed Hamiltonian dynamics to simulate a desired Hamiltonian. Our…

Quantum Physics · Physics 2024-06-13 Tatsuki Odake , Hlér Kristjánsson , Akihito Soeda , Mio Murao

We describe a simple, efficient method for simulating Hamiltonian dynamics on a quantum computer by approximating the truncated Taylor series of the evolution operator. Our method can simulate the time evolution of a wide variety of…

Quantum Physics · Physics 2015-03-06 Dominic W. Berry , Andrew M. Childs , Richard Cleve , Robin Kothari , Rolando D. Somma

We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…

Quantum Physics · Physics 2025-04-30 Joseph Andress , Alexander Engel , Yuan Shi , Scott Parker

Hamiltonian systems are differential equations which describe systems in classical mechanics, plasma physics, and sampling problems. They exhibit many structural properties, such as a lack of attractors and the presence of conservation…

Numerical Analysis · Mathematics 2022-01-14 Christian Offen , Sina Ober-Blöbaum

Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here…

Quantum Physics · Physics 2017-03-10 Shengshi Pang , Andrew N. Jordan

In this work, we initiate the study of Hamiltonian learning for positive temperature bosonic Gaussian states, the quantum generalization of the widely studied problem of learning Gaussian graphical models. We obtain efficient protocols,…

Quantum Physics · Physics 2025-04-08 Marco Fanizza , Cambyse Rouzé , Daniel Stilck França

We introduce a new class of quantum models with time-dependent Hamiltonians of a special scaling form. By using a couple of time-dependent unitary transformations, the time evolution of these models is expressed in terms of related systems…

Quantum Physics · Physics 2009-11-07 L. Samaj