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Simulations of quantum systems with Hamiltonian classical stochastic noise can be challenging when the noise exhibits temporal correlations over a multitude of time scales, such as for $1/f$ noise in solid-state quantum information…

Quantum Physics · Physics 2025-02-19 Tameem Albash , Steve Young , N. Tobias Jacobson

We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models, in order to analyse properties of physical systems. The method uses the coarse-grained model to obtain a first estimate of the quantity…

Statistical Mechanics · Physics 2020-01-08 Hideki Kobayashi , Paul B. Rohrbach , Robert Scheichl , Nigel B. Wilding , Robert L. Jack

By introducing a temporal change timescale $\tau_{\text{A}}(t)$ for the time-dependent system Hamiltonian, a general formulation of the Markovian quantum master equation is given to go well beyond the adiabatic regime. In appropriate…

Statistical Mechanics · Physics 2017-02-01 Makoto Yamaguchi , Tatsuro Yuge , Tetsuo Ogawa

With the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free and consistent coarse grained…

Statistical Mechanics · Physics 2018-03-09 Hans Christian Öttinger

Quantum stochastic processes are widely used in describing open quantum systems and in the context of quantum foundations. Physically relevant quantum stochastic processes driven by multiplicative colored noise are generically non-Markovian…

Quantum Physics · Physics 2026-03-12 Aritro Mukherjee

Quantum Markov models are employed ubiquitously in quantum physics and in quantum information theory due to their relative simplicity and analytical tractability. In particular, these models are known to give accurate approximations for a…

Quantum Physics · Physics 2024-02-02 Hendra I. Nurdin

We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…

Chemical Physics · Physics 2015-06-15 Chuansheng Shen , Hanshuang Chen

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

The emergence of macroscopic variables can be effected through {\it coarse graining}. Despite practical and fundamental benefits conveyed by this partitioning of state space, the apparently subjective nature of the selection of coarse…

Statistical Mechanics · Physics 2016-08-31 L. S. Schulman , B. Gaveau

We develop coarse-graining schemes for stochastic many-particle microscopic models with competing short- and long-range interactions on a d-dimensional lattice. We focus on the coarse-graining of equilibrium Gibbs states and using cluster…

Numerical Analysis · Mathematics 2010-03-09 M. A. Katsoulakis , P. Plechac , L. Rey-Bellet , D. K. Tsagkarogiannis

Efficient sampling of the Boltzmann distribution of molecular systems is a long-standing challenge. Recently, instead of generating long molecular dynamics simulations, generative machine learning methods such as normalizing flows have been…

Machine Learning · Computer Science 2024-08-06 Henrik Schopmans , Pascal Friederich

Lossy data transformations by definition lose information. Yet, in modern machine learning, methods like data pruning and lossy data augmentation can help improve generalization performance. We study this paradox using a solvable model of…

Statistical Mechanics · Physics 2025-09-19 Alex Nguyen , David J. Schwab , Vudtiwat Ngampruetikorn

Understanding grain-surface processes is crucial to interpreting the chemistry of the ISM. However, accurate surface chemistry models are computationally expensive and are difficult to integrate with gas-phase simulations. A new…

Astrophysics · Physics 2009-11-13 R. T. Garrod

We examine the validity of the rotating wave approximation (RWA) in non-adiabatic holonomic single-qubit gates [New J. Phys. {\bf 14}, 103035 (2012)]. We demonstrate that the adoption of RWA may lead to a sharp decline in fidelity for rapid…

Quantum Physics · Physics 2013-11-22 Jakob Spiegelberg , Erik Sjöqvist

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables we…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 Pep Español , Aleksandar Donev

In this paper a quantum mechanical phase space picture is constructed for coarse-grained free quantum fields in an inflationary Universe. The appropriate stochastic quantum Liouville equation is derived. Explicit solutions for the phase…

General Relativity and Quantum Cosmology · Physics 2009-10-22 Salman Habib

Modern 4-wave mixing spectroscopies are expensive to obtain experimentally and computationally. In certain cases, the unfavorable scaling of quantum dynamics problems can be improved using a generalized quantum master equation (GQME)…

Chemical Physics · Physics 2024-05-16 Thomas Sayer , Andrés Montoya-Castillo

Capturing the correct dynamics at the Coarse-Grained (CG) scale remains a central challenge in the advancement of systematic CG models for soft matter simulations. The Generalized Langevin Equation (GLE), rooted in the Mori-Zwanzig…

Soft Condensed Matter · Physics 2024-10-14 Jinu Jeong , Ishan Nadkarni , Narayana. R. Aluru

We consider a linear system that consists of a linear wave equation on a horizontal hypersurface and a parabolic equation in the half space below. The model describes longitudinal elastic waves in organic monolayers at the water-air…

Analysis of PDEs · Mathematics 2020-04-27 Alexander Mielke , Roland R. Netz , Sina Zendehroud

Aggregative cooperative optimization problems arise in distributed decision-making settings where each agent's objective depends on its own decision as well as on an aggregate variable capturing global system behavior. Motivated by…

Optimization and Control · Mathematics 2026-04-09 Amir Mehrnoosh , Giuseppe Speciale , Riccardo Brumali , Giuseppe Notarstefano , Gianluca Bianchin
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