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Targeted free energy perturbation uses an invertible mapping to promote configuration space overlap and the convergence of free energy estimates. However, developing suitable mappings can be challenging. Wirnsberger et al. (2020)…

Statistical Mechanics · Physics 2024-01-02 Soohaeng Yoo Willow , Lulu Kang , David D. L. Minh

Direct numerical simulation of a turbulent thermal boundary layer (TTBL) can perform the role of an analogy to simulate bushfires that can serve as a testbed for artificial intelligence (AI) enhanced remote sensing of bushfire propagation.…

Fluid Dynamics · Physics 2024-02-14 Julio Soria , Shahram Karami , Callum Atkinson , Minghang Li

This study explores the integration of machine learning (ML) techniques with large eddy simulation (LES) for predicting species mass fraction and flame characteristics in partially premixed turbulent jet flames. The LES simulations,…

Fluid Dynamics · Physics 2025-05-05 Amirali Shateri , Zhiyin Yang , Jianfei Xie

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

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

Risk assessment is relevant in any workplace, however there is a degree of unpredictability when dealing with flammable or hazardous materials so that detection of fire accidents by itself may not be enough. An example of this is the…

Computer Vision and Pattern Recognition · Computer Science 2022-01-21 Carmina Pérez-Guerrero , Adriana Palacios , Gilberto Ochoa-Ruiz , Christian Mata , Miguel Gonzalez-Mendoza , Luis Eduardo Falcón-Morales

There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materials but also complicates the interpretation and understanding…

Significant progress has been made on the model development for simulating turbulent reacting flows. As a consequence, we are currently in a position where key-physical aspects of fairly complex combustion processes are well understood at a…

Fluid Dynamics · Physics 2020-12-17 Matthias Ihme

Constructing reduced models for turbulent transport is essential for accelerating profile predictions and enabling many-query tasks such as uncertainty quantification, parameter scans, and design optimization. This paper presents…

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

We develop an artificial neural network model to predict quantum heat engines working within the experimentally realized framework of electromagnetically induced transparency. We specifically focus on {\Lambda}-type alkali-based cold atomic…

Quantum Physics · Physics 2025-01-07 Manash Jyoti Sarmah , Himangshu Prabal Goswami

Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated…

Strongly Correlated Electrons · Physics 2017-09-12 Kelvin Ch'ng , Juan Carrasquilla , Roger G. Melko , Ehsan Khatami

Due to climate change, the extreme wildfire has become one of the most dangerous natural hazards to human civilization. Even though, some wildfires may be initially caused by human activity, but the spread of wildfires is mainly determined…

Machine Learning · Computer Science 2025-03-13 Qijun Chen , Shaofan Li

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

Machine learning methods have been adopted in the literature as contenders to conventional methods to solve the energy time series forecasting (TSF) problems. Recently, deep learning methods have been emerged in the artificial intelligence…

Machine Learning · Computer Science 2021-08-25 Hala Hamdoun , Alaa Sagheer , Hassan Youness

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

With electric power systems becoming more compact and increasingly powerful, the relevance of thermal stress especially during overload operation is expected to increase ceaselessly. Whenever critical temperatures cannot be measured…

Machine Learning · Computer Science 2022-11-03 Wilhelm Kirchgässner , Oliver Wallscheid , Joachim Böcker

Chemical and biomass processing systems release volatile matter compounds into the environment daily. Catalytic reforming can convert these compounds into valuable fuels, but developing stable and efficient catalysts is challenging. Machine…

Data-driven machine learning models for weather forecasting have made transformational progress in the last 1-2 years, with state-of-the-art ones now outperforming the best physics-based models for a wide range of skill scores. Given the…

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…