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Surface adsorption is one of the fundamental processes in numerous fields, including catalysis, environment, energy and medicine. The development of an adsorption model which provides an effective prediction of binding energy in minutes has…

Materials Science · Physics 2022-07-27 Paolo Restuccia , Ehsan A. Ahmad , Nicholas M. Harrison

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…

Chemical Physics · Physics 2023-07-19 Alan M Lewis , Paolo Lazzaroni , Mariana Rossi

Lithium-ion batteries are used to store energy in electric vehicles. Physical models based on electro-chemistry accurately predict the cell dynamics, in particular the state of charge. However, these models are nonlinear partial…

Analysis of PDEs · Mathematics 2017-09-13 Sepideh Afshar , Kirsten Morris , Amir Khajepour

Accurate forecasting of solar power output is essential for efficient integration of renewable energy into the grid. In this study, an attention-based deep learning model, inspired by transformer architecture, is used for short-term solar…

Machine Learning · Computer Science 2026-04-28 Ankan Basu , Jyotiraditya Roy , Aditya Datta , Prayas Sanyal , Sumanta Banerjee

In recent years, battery technology for electric vehicles (EVs) has been a major focus, with a significant emphasis on developing new battery materials and chemistries. However, accurately predicting key battery parameters, such as…

Machine Learning · Computer Science 2023-08-08 Niranjan Sitapure , Atharva Kulkarni

Humans are remarkably good at understanding and reasoning about complex visual scenes. The capability to decompose low-level observations into discrete objects allows us to build a grounded abstract representation and identify the…

Machine Learning · Computer Science 2022-10-12 Ruixiang Zhang , Tong Che , Boris Ivanovic , Renhao Wang , Marco Pavone , Yoshua Bengio , Liam Paull

This paper proposes an improved deep learning based maximum power point tracking (MPPT) in solar photovoltaic cells considering various time series based environmental inputs. Generally, artificial neural network based MPPT algorithms use…

Systems and Control · Electrical Eng. & Systems 2024-09-26 Palaash Agrawal , Hari Om Bansal , Aditya R. Gautam , Om Prakash Mahela , Baseem Khan

Measuring the performance of solar energy and heat transfer systems requires a lot of time, economic cost and manpower. Meanwhile, directly predicting their performance is challenging due to the complicated internal structures. Fortunately,…

Artificial Intelligence · Computer Science 2017-10-09 Hao Li , Zhijian Liu

Optimal cooling that minimises thermal gradients and the average temperature is essential for enhanced battery safety and health. This work presents a new modelling approach for battery cells of different shapes by integrating Chebyshev…

Systems and Control · Electrical Eng. & Systems 2025-06-26 Godwin K. Peprah , Yicun Huang , Torsten Wik , Faisal Altaf , Changfu Zou

Hybrid power trains (HPT) run on multiple energy sources, often involving energy storage systems/batteries (ESS). As a result, the risk of battery degradation and the reliability of energy storage elements pose a major challenge in…

Optimization and Control · Mathematics 2026-02-09 Satish Vedula , Olugbenga Anubi

Transformers are widely used in natural language processing due to their ability to model longer-term dependencies in text. Although these models achieve state-of-the-art performance for many language related tasks, their applicability…

Machine Learning · Computer Science 2021-12-15 Nicholas Geneva , Nicholas Zabaras

In the manufacturing process, sensor data collected from equipment is crucial for building predictive models to manage processes and improve productivity. However, in the field, it is challenging to gather sufficient data to build robust…

Machine Learning · Computer Science 2024-07-10 Gyeong Taek Lee , Oh-Ran Kwon

Battery diagnosis, prognosis and health management models play a critical role in the integration of battery systems in energy and mobility fields. However, large-scale deployment of these models is hindered by a myriad of challenges…

Machine Learning · Computer Science 2023-10-17 Nur Banu Altinpulluk , Deniz Altinpulluk , Paritosh Ramanan , Noah Paulson , Feng Qiu , Susan Babinec , Murat Yildirim

A methodology that seeks to enhance model prediction performance is presented. The method involves generating multiple auxiliary models that capture relationships between attributes as a function of each other. Such information serves to…

Machine Learning · Computer Science 2024-02-06 Francisco Javier Lobo-Cabrera

Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…

Chemical Physics · Physics 2024-08-09 Constantin Schwetlick , Max Schammer , Arnulf Latz , Birger Horstmann

Model identification of battery dynamics is a central problem in energy research; many energy management systems and design processes rely on accurate battery models for efficiency optimization. The standard methodology for battery…

Machine Learning · Computer Science 2023-10-13 Gokhan Budan , Francesca Damiani , Can Kurtulus , N. Kemal Ure

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

Accurate load forecasting is crucial for maintaining the power balance between generators and consumers,particularly with the increasing integration of renewable energy sources, which introduce significant intermittent volatility. With the…

Systems and Control · Electrical Eng. & Systems 2024-09-04 Mingyang Gao , Suyang Zhou , Wei Gu , Zhi Wu , Haiquan Liu , Aihua Zhou

The increasing need for energy storage solutions to balance variable renewable energy sources has highlighted the potential of Pumped Thermal Electricity Storage (PTES). In this paper, we investigate the trade-offs between model accuracy…

Systems and Control · Electrical Eng. & Systems 2024-11-13 Taemin Heo , Ruaridh Macdonald
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