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The use of transition group metals in electric batteries requires extensive usage of critical elements like lithium, cobalt and nickel, which poses significant environmental challenges. Replacing these metals with redox-active organic…

Materials Science · Physics 2025-07-02 Subhash V. S. Ganti , Lukas Woelfel , Christopher Kuenneth

Compared to physics-based computational manufacturing, data-driven models such as machine learning (ML) are alternative approaches to achieve smart manufacturing. However, the data-driven ML's "black box" nature has presented a challenge to…

Machine Learning · Computer Science 2024-07-16 Rahul Sharma , Maziar Raissi , Y. B. Guo

Hyperparameter optimization constitutes a large part of typical modern machine learning workflows. This arises from the fact that machine learning methods and corresponding preprocessing steps often only yield optimal performance when…

Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…

Computational Physics · Physics 2019-11-01 JCS Kadupitiya , Geoffrey C. Fox , Vikram Jadhao

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

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Machine Learning · Computer Science 2023-07-06 Sina Tayebati , Kyu Taek Cho

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

This work deals with the design optimization of electrical machines under the consideration of manufacturing uncertainties. In order to efficiently quantify the uncertainty, blackbox machine learning methods are employed. A multi-objective…

Computational Engineering, Finance, and Science · Computer Science 2023-11-27 Morten Huber , Mona Fuhrländer , Sebastian Schöps

Optimization of the formation step in lithium-ion battery manufacturing is challenging due to limited physical understanding of solid electrolyte interphase formation and the long testing time (~100 days) for cells to reach the end of life.…

Machine Learning · Computer Science 2025-05-01 Jinwook Rhyu , Joachim Schaeffer , Michael L. Li , Xiao Cui , William C. Chueh , Martin Z. Bazant , Richard D. Braatz

Since the internal temperature is less accessible than surface temperature, there is an urgent need to develop accurate and real-time estimation algorithms for better thermal management and safety. This work presents a novel framework for…

Systems and Control · Electrical Eng. & Systems 2025-09-15 Yusheng Zheng , Wenxue Liu , Yunhong Che , Ferdinand Grimm , Jingyuan Zhao , Xiaosong Hu , Simona Onori , Remus Teodorescu , Gregory J. Offer

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Machine Learning · Computer Science 2025-05-05 D. Patel , R. Sharma , Y. B. Guo

Advanced battery management systems rely on mathematical models to guarantee optimal functioning of Lithium-ion batteries. The Pseudo-Two Dimensional (P2D) model is a very detailed electrochemical model suitable for simulations. On the…

Systems and Control · Computer Science 2019-10-01 Andrea Pozzi , Gabriele Ciaramella , Stefan Volkwein , Davide M. Raimondo

This paper proposes the linearized physics-based model of a lithium-ion battery that can be incorporated into the optimization framework for power system economic studies. The proposed model is a linear approximation of the single particle…

Systems and Control · Electrical Eng. & Systems 2022-07-08 Anton V. Vykhodtsev , Darren Jang , Qianpu Wang , William Rosehart , Hamidreza Zareipour

Microgels are cross-linked, colloidal polymer networks with great potential for stimuli-response release in drug-delivery applications, as their size in the nanometer range allows them to pass human cell boundaries. For applications with…

Computational Engineering, Finance, and Science · Computer Science 2023-09-01 Luise F. Kaven , Artur M. Schweidtmann , Jan Keil , Jana Israel , Nadja Wolter , Alexander Mitsos

Efficient parameter identification of electrochemical models is crucial for accurate monitoring and control of lithium-ion cells. This process becomes challenging when applied to complex models that rely on a considerable number of…

Systems and Control · Electrical Eng. & Systems 2024-05-20 Jianzong Pi , Samuel Filgueira da Silva , Mehmet Fatih Ozkan , Abhishek Gupta , Marcello Canova

Deep learning-based segmentation and classification are crucial to large-scale biomedical imaging, particularly for 3D data, where manual analysis is impractical. Although many methods exist, selecting suitable models and tuning parameters…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 David Exler , Joaquin Eduardo Urrutia Gómez , Martin Krüger , Maike Schliephake , John Jbeily , Mario Vitacolonna , Rüdiger Rudolf , Markus Reischl

The focus of this paper is a proof of concept, machine learning (ML) pipeline that extracts heart rate from pressure sensor data acquired on low-power edge devices. The ML pipeline consists an upsampler neural network, a signal quality…

Machine Learning · Computer Science 2022-08-18 Preetam Anbukarasu , Shailesh Nanisetty , Ganesh Tata , Nilanjan Ray

Machines learning techniques plays a preponderant role in dealing with massive amount of data and are employed in almost every possible domain. Building a high quality machine learning model to be deployed in production is a challenging…

Machine Learning · Computer Science 2019-07-02 Alexandre Quemy

Microstructure often dictates materials performance, yet it is rarely treated as an explicit design variable because microstructure is hard to quantify, predict, and optimize. Here, we introduce an image centric, closed-loop framework that…

Materials Science · Physics 2025-05-14 Geunho Choi , Changhwan Lee , Jieun Kim , Insoo Ye , Keeyoung Jung , Inchul Park

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However,…