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Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…

Materials Science · Physics 2024-11-14 Qiangqiang Gu , Zhanghao Zhouyin , Shishir Kumar Pandey , Peng Zhang , Linfeng Zhang , Weinan E

We discuss a \Lambda-like model of atomic levels involving two autoionizing (AI) states of the same energy. The system is irradiated by two external electromagnetic fields (strong -- driving and weak -- probing ones). For such a system…

Quantum Physics · Physics 2013-12-02 T. Bui Dinh , W. Leoński , V. Cao Long , J. Peřina

Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…

Applied Physics · Physics 2021-09-08 Marko Canadija

Accurate prediction and stabilization of blast furnace temperatures are crucial for optimizing the efficiency and productivity of steel production. Traditional methods often struggle with the complex and non-linear nature of the temperature…

The magnetic properties of a material are determined by a subtle balance between the various interactions at play, a fact that makes the design of new magnets a daunting task. High-throughput electronic structure theory may help to explore…

Materials Science · Physics 2019-10-16 James Nelson , Stefano Sanvito

We prove that an effective temperature naturally emerges from the algorithmic structure of a regular universal Turing machine (UTM), without introducing any external physical parameter. In particular, the redundancy growth of the machine's…

Statistical Mechanics · Physics 2025-10-17 Kentaro Imafuku

Electromagnetically induced transparency (EIT) has mainly been modelled for three-level systems. In particular, a considerable interest has been dedicated to the Lambda-configuration, with two ground states and one excited state. However,…

This research employs the Kraus representation and Sz.-Nagy dilation theorem to model a three-level quantum heat on quantum circuits, investigating its dynamic evolution and thermodynamic performance. The feasibility of the dynamic model is…

Quantum Physics · Physics 2024-05-29 Gao-xiang Deng , Zhe He , Yu Liu , Wei Shao , Zheng Cui

Thermodynamic uncertainty relations (TURs) provide fundamental constraints on the interplay between power fluctuations, entropy production, and efficiency in overdamped stationary autonomous heat engines. However, their validity in…

Statistical Mechanics · Physics 2026-03-23 Enrique P. Cital , Viktor Holubec

Electromagnetically-induced transparency has become an important tool to control the optical properties of dense media. However, in a broad class of systems, the interplay between inhomogeneous broadening and the existence of several…

Quantum Physics · Physics 2012-05-10 M. Scherman , O. S. Mishina , P. Lombardi , E. Giacobino , J. Laurat

A physics-informed neural network is developed to solve conductive heat transfer partial differential equation (PDE), along with convective heat transfer PDEs as boundary conditions (BCs), in manufacturing and engineering applications where…

Machine Learning · Computer Science 2021-03-29 Navid Zobeiry , Keith D. Humfeld

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…

Materials Science · Physics 2021-04-14 Nataliya Lopanitsyna , Chiheb Ben Mahmoud , Michele Ceriotti

We study the optimal output power and efficiency of the three-terminal quantum heat engine with Coulomb-coupled quantum-dots (CCQD). It has been well known that in the weak coupling regime, two kinds of dominant transport mechanisms are…

Atomic Physics · Physics 2021-07-21 Kum Hyok Jong , Song Mi Ri , Chol Won Ri

Exact numerical simulations of dynamics of open quantum systems often require immense computational resources. We demonstrate that a deep artificial neural network comprised of convolutional layers is a powerful tool for predicting…

Computational Physics · Physics 2020-12-22 Luis E. Herrera Rodriguez , Alexei A. Kananenka

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

Neural networks have emerged as a powerful way to approach many practical problems in quantum physics. In this work, we illustrate the power of deep learning to predict the dynamics of a quantum many-body system, where the training is…

This paper presents an interpretable review of various machine learning and deep learning models to predict the maintenance of aircraft engine to avoid any kind of disaster. One of the advantages of the strategy is that it can work with…

Machine Learning · Computer Science 2023-09-26 Abdullah Al Hasib , Ashikur Rahman , Mahpara Khabir , Md. Tanvir Rouf Shawon

Traditional quantum thermodynamic frameworks associate work to energy exchanges induced by unitary transformations generated by external controls, and heat to energy exchanges induced by bath interaction. Recently, a framework was…

Quantum Physics · Physics 2026-01-06 Tiago F. F. Santos , Camille Latune

The use of deep learning methods for modeling fluid flow has drawn a lot of attention in the past few years. In situations where conventional numerical approaches can be computationally expensive, these techniques have shown promise in…

We quantify the prior information to infer the optimal characteristics for a constrained thermodynamic process of maximum work extraction for a pair of non-identical finite systems. The total entropy of the whole system remains conserved.…

Statistical Mechanics · Physics 2016-01-20 Preety Aneja , Harsh Katyayan , Ramandeep S. Johal