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Optimal (reversible) processes in thermodynamics can be modelled as step-by-step processes, where the system is successively thermalized with respect to different Hamiltonians by an external thermal bath. However, in practice interactions…

We develop a perturbative technique for solving Markovian quantum dissipative dynamics, with the perturbation parameter being a small gap in the eigenspectrum. As an example, we apply the technique and straightforwardly obtain analytically…

Quantum Physics · Physics 2023-08-09 Felix Ivander , Nicholas Anto-Sztrikacs , Dvira Segal

We propose using the dynamical invariant also known as the Lewis-Riesenfeld invariant, to speed-up the equilibration of a driven open quantum system. This allows us to reverse engineer the time-dependent master equation that describes the…

Quantum Physics · Physics 2025-03-14 Mohamed Boubakour , Shimpei Endo , Thomás Fogarty , Thomas Busch

This paper proposes and tests the first-ever reduced basis warm-start iterative method for the parametrized linear systems, exemplified by those discretizing the parametric partial differential equations. Traditional iterative methods are…

Numerical Analysis · Mathematics 2024-01-08 Shijin Hou , Yanlai Chen , Yinhua Xia

Optimizing the trajectories of multiple quadrotors in a shared space is a core challenge in various applications. Many existing trajectory optimization methods enforce constraints only at the discretization points, leading to violations…

Optimization and Control · Mathematics 2025-08-21 Minsen Yuan , Yue Yu

We present a method to design driving protocols that achieve fast thermal equilibration of a system of interest using techniques inspired by machine learning training algorithms. For example, consider a Brownian particle manipulated by…

Statistical Mechanics · Physics 2025-06-25 Diego Rengifo , Gabriel Téllez

We consider the problem of computing the optimal solution and objective of a linear program under linearly changing linear constraints. The problem studied is given by $\min c^t x \text{ s.t } Ax + \lambda Dx \leq b$ where $\lambda$ belongs…

Optimization and Control · Mathematics 2026-03-02 Guillaume Derval , Bardhyl Miftari , Damien Ernst , Quentin Louveaux

In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…

Materials Science · Physics 2010-10-19 Michele Ceriotti , Thomas D. Kühne , Michele Parrinello

We propose an ab-initio molecular dynamics method, capable to reduce dramatically the autocorrelation time required for the simulation of classical and quantum particles at finite temperature. The method is based on an efficient…

Strongly Correlated Electrons · Physics 2017-01-11 Sandro Sorella , Guglielmo Mazzola

Optimization plays a significant role in many areas of science and technology. Most of the industrial optimization problems have inordinately complex structures that render finding their global minima a daunting task. Therefore, designing…

Disordered Systems and Neural Networks · Physics 2021-09-09 Amin Barzegar , Anuj Kankani , Salvatore Mandrà , Helmut G. Katzgraber

It is now well established that there is no lower bound for the energy dissipated during a computation. The relevance of the zero-energy limit is unclear, however, because it entails computations that are unreliable or infinitely slow, or…

Statistical Mechanics · Physics 2018-02-21 Dominique Chu

Simulating the nonequilibrium dynamics of thermal states is a fundamental problem across scales from high energy to condensed matter physics. Quantum computers may provide a way to solve this problem efficiently. Preparing a thermal state…

Quantum Physics · Physics 2023-11-03 Jason Saroni , Henry Lamm , Peter P. Orth , Thomas Iadecola

The standard dynamical approach to quantum thermodynamics is based on Markovian master equations describing the thermalization of a system weakly coupled to a large environment, and on tools such as entropy production relations. Here we…

Quantum Physics · Physics 2022-08-08 Matteo Lostaglio , Kamil Korzekwa

A fully Bayesian treatment of complicated predictive models (such as deep neural networks) would enable rigorous uncertainty quantification and the automation of higher-level tasks including model selection. However, the intractability of…

Discrete combinatorial optimization consists in finding the optimal configuration that minimizes a given discrete objective function. An interpretation of such a function as the energy of a classical system allows us to reduce the…

Quantum Physics · Physics 2015-06-22 Sergio Boixo , Gerardo Ortiz , Rolando Somma

We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one…

Quantum Physics · Physics 2015-03-17 Man-Hong Yung , Daniel Nagaj , James D. Whitfield , Alán Aspuru-Guzik

Traditionally, neural networks are parameterized using optimization procedures such as stochastic gradient descent, RMSProp and ADAM. These procedures tend to drive the parameters of the network toward a local minimum. In this article, we…

Machine Learning · Computer Science 2020-01-07 Benedict Leimkuhler , Charles Matthews , Tiffany Vlaar

The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…

Quantum Physics · Physics 2026-05-14 Dominik Hahn , Ryan Sweke , Abhinav Deshpande , Oles Shtanko

A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…

Soft Condensed Matter · Physics 2016-08-31 A. Kolb , B. Duenweg

We investigate the quantum Mpemba effect in the relaxation of open quantum systems whose effective dynamics is described by Davies maps. We present a class of unitary transformations built from permutation matrices that, when applied to the…

Quantum Physics · Physics 2025-12-19 Emerson Lima Caldas , Diego Paiva Pires