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Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it demands advances at the levels of materials, devices, and systems for the efficient harvesting, storage, conversion, and management of renewable…

Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…

Materials Science · Physics 2022-06-20 Rohan Casukhela , Sriram Vijayan , Joerg R. Jinschek , Stephen R. Niezgoda

As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chromatography (TLC) represents a commonly used technique for…

Photovoltaics (PV) are widely used to harvest solar energy, an important form of renewable energy. Photovoltaic arrays consist of multiple solar panels constructed from solar cells. Solar cells in the field are vulnerable to various…

Applications · Statistics 2024-08-13 Xinyi Song , Kennedy Odongo , Francis G. Pascual , Yili Hong

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are…

Quantum technology is approaching a level of maturity, recently demonstrated in space-borne experiments and in-field measurements, which would allow for adoption by non-specialist users. Parallel advancements made in microprocessor-based…

Quantum Physics · Physics 2021-09-15 T. J. Barrett , W. Evans , A. Gadge , S. Bhumbra , S. Sleegers , R. Shah , J. Fekete , F. Orucevic , P. Kruger

A novel approach is proposed, where energy filtered electrons, carrying both chemical identity and electrical information, serve as fine and flexible electrodes in direct electrical measurements. The method, termed 'chemically resolved…

Materials Science · Physics 2009-11-10 Hagai Cohen

IoT devices are increasingly being implemented with neural network models to enable smart applications. Energy harvesting (EH) technology that harvests energy from ambient environment is a promising alternative to batteries for powering…

Machine Learning · Computer Science 2022-09-28 Sahidul Islam , Shanglin Zhou , Ran Ran , Yufang Jin , Wujie Wen , Caiwen Ding , Mimi Xie

Vision-based quality assessment in additive manufacturing often requires dedicated machine learning models and application-specific datasets. However, data collection and model training can be expensive and time-consuming. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Qiaojie Zheng , Jiucai Zhang , Xiaoli Zhang

Machine learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work,…

Materials Science · Physics 2019-05-24 Rajendra P. Joshi , Jesse Eickholt , Liling Li , Marco Fornari , Veronica Barone , Juan E. Peralta

The network of biochemical reactions inside living organisms is characterized by an overwhelming complexity which stems from the sheer number of reactions and from the complicated topology of biochemical cycles. However the high speed of…

Biological Physics · Physics 2009-10-30 Edoardo Milotti , Alessio Del Fabbro , Roberto Chignola

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore,…

Plasma Physics · Physics 2024-09-05 Farbod Faraji , Maryam Reza

Nowadays, we are witnessing a wide adoption of Machine learning (ML) models in many safety-critical systems, thanks to recent breakthroughs in deep learning and reinforcement learning. Many people are now interacting with systems based on…

Software Engineering · Computer Science 2018-12-07 Houssem Ben Braiek , Foutse Khomh

First-principles computations are the driving force behind numerous discoveries of hydride-based superconductors, mostly at high pressures, during the last decade. Machine-learning (ML) approaches can further accelerate the future…

Superconductivity · Physics 2023-06-01 Huan Tran , Tuoc N. Vu

Machine learning (ML) holds great potential to advance anomaly detection (AD) in chemical processes. However, the development of ML-based methods is hindered by the lack of openly available experimental data. To address this gap, we have…

Machine Learning (ML) has already fundamentally changed several businesses. More recently, it has also been profoundly impacting the computational science and engineering domains, like geoscience, climate science, and health science. In…

Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecting an appropriate method based on accuracy and computational…

Chemical Physics · Physics 2025-11-25 Austin M. Wallace , C. David Sherrill , Giri P. Krishnan

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

In recent years, machine learning (ML) has gained significant popularity in the field of chemical informatics and electronic structure theory. These techniques often require researchers to engineer abstract "features" that encode chemical…

Human-Computer Interaction · Computer Science 2022-07-11 Xiangyun Lei , Fred Hohman , Duen Horng Chau , Andrew J. Medford

Electrochemical impedance spectroscopy (EIS) is an effective method for studying the electrochemical systems. The interpretation of EIS is the biggest challenge in this technology, which requires reasonable modeling. However, the modeling…

Data Analysis, Statistics and Probability · Physics 2019-07-04 Shan Zhu , Xinyang Sun , Yuxuan Wang , Naiqin Zhao , Junwei Sha