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The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

Equilibrium statistical mechanics is intended to link the microscopic dynamics of particles to the thermodynamic laws for macroscopic quantities. However, the modern statistical theory is faced with significant difficulties, as applied to…

Statistical Mechanics · Physics 2016-03-15 A. G. Godizov , A. A. Godizov

We propose a Hermite spectral method for the spatially inhomogeneous Boltzmann equation. For the inverse-power-law model, we generalize an approximate quadratic collision operator defined in the normalized and dimensionless setting to an…

Spectral Theory · Mathematics 2019-02-26 Zhicheng Hu , Zhenning Cai , Yanli Wang

The dynamics of minority games with agents trading on different time scales is studied via dynamical mean-field theory. We analyze the case where the agents' decision-making process is deterministic and its stochastic generalization with…

Disordered Systems and Neural Networks · Physics 2009-11-10 Andrea De Martino

We propose a mean-field approach to the Duffing oscillator to construct perturbatively the bounded operators that generate the quantum states, and to define a non-Gaussian density operator.

Mathematical Physics · Physics 2008-11-06 Sang Pyo Kim

Using dynamical mean-field theory (DMFT) we study a simplified model for heterostructures involving superconductors. The system is driven out-of-equilibrium by a voltage bias, imposed as an imbalance of chemical potential at the interface.…

Strongly Correlated Electrons · Physics 2016-03-21 A. Amaricci , M. Capone

This paper investigates a new class of modifier-adaptation schemes to overcome plant-model mismatch in real-time optimization of uncertain processes. The main contribution lies in the integration of concepts from the areas of Bayesian…

Solvation is a notoriously difficult and nagging problem for the rigorous theoretical description of chemistry in the liquid phase. Successes and failures of various approaches ranging from implicit solvation modeling through dielectric…

Chemical Physics · Physics 2020-04-01 Gregor N. Simm , Paul L. Türtscher , Markus Reiher

Adjustable autonomy refers to entities dynamically varying their own autonomy, transferring decision-making control to other entities (typically agents transferring control to human users) in key situations. Determining whether and when…

Artificial Intelligence · Computer Science 2011-06-24 D. V. Pynadath , P. Scerri , M. Tambe

We study the Langevin dynamics of diffusive particles with regular pairwise interactions under mean-field scaling. By approximating empirical distributions with conditional distributions, we establish coercive and contractive properties for…

Probability · Mathematics 2026-05-28 Songbo Wang

We construct the exact partition function of the Potts model on a complete graph subject to external fields with linear and nematic type couplings. The partition function is obtained as a solution to a linear diffusion equation and the free…

Mathematical Physics · Physics 2019-08-14 Paolo Lorenzoni , Antonio Moro

Stochastic variational inference makes it possible to approximate posterior distributions induced by large datasets quickly using stochastic optimization. The algorithm relies on the use of fully factorized variational distributions.…

Machine Learning · Computer Science 2014-11-27 Matthew D. Hoffman , David M. Blei

In this work, a new ansatz is introduced to make the calculations of the metric operator in Pseudo-Hermitian field theory simpler. The idea is to assume that the metric operator is not only a functional of the field operators $\phi$ and its…

High Energy Physics - Theory · Physics 2009-11-24 Abouzeid M. Shalaby

In this article, we study eigenvalue problems associated to self-adjoint operators and their approximation obtained by subspace projection, as used in the reduced basis method for instance. We provide error bounds between the exact…

Mathematical Physics · Physics 2025-06-16 Louis Garrigue , Benjamin Stamm

The aim of this review is to provide a concise overview of some of the generic approaches that have been developed to deal with the statistical description of large systems of interacting dissipative 'units'. The latter notion includes,…

Statistical Mechanics · Physics 2017-03-08 Eric Bertin

Mainstream flow matching methods typically focus on learning the local velocity field, which inherently requires multiple integration steps during generation. In contrast, Mean Velocity Flow models establish a relationship between the local…

Machine Learning · Computer Science 2026-03-18 Chenrui Ma

We consider the differential of a self-consistent transfer operator at a fixed point of the operator itself and show that its spectral properties can be used to establish a kind of local exponential convergence to equilibrium: probability…

Dynamical Systems · Mathematics 2024-10-25 Roberto Castorrini , Stefano Galatolo , Matteo Tanzi

We introduce an encoder-only approach to learn the evolution operators of large-scale non-linear dynamical systems, such as those describing complex natural phenomena. Evolution operators are particularly well-suited for analyzing systems…

Machine Learning · Computer Science 2025-05-27 Giacomo Turri , Luigi Bonati , Kai Zhu , Massimiliano Pontil , Pietro Novelli

Koopman operators and transfer operators represent dynamical systems through their induced linear action on vector spaces of observables, enabling the use of operator-theoretic techniques to analyze nonlinear dynamics in state space. The…

Dynamical Systems · Mathematics 2024-06-10 Claire Valva , Dimitrios Giannakis

Ab initio methods for electronic structure of molecules have reached a satisfactory accuracy for calculation of static properties, but remain too expensive for quantum dynamical calculations. We propose an efficient semiclassical method for…

Chemical Physics · Physics 2015-05-13 Baiqing Li , Cesare Mollica , Jiri Vanicek
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