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The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Machine Learning · Statistics 2017-07-20 Julia Ling , Max Hutchinson , Erin Antono , Sean Paradiso , Bryce Meredig

The recent advancements in mathematical modeling of biochemical systems have generated increased interest in sensitivity analysis methodologies. There are two primary approaches for analyzing these mathematical models: the stochastic…

Computation · Statistics 2025-10-14 Kannon Hossain , Roger Sidje , Fahad Mostafa

Accurate state of temperature (SOT) estimation for batteries is crucial for regulating their temperature within a desired range to ensure safe operation and optimal performance. The existing measurement-based methods often generate noisy…

Systems and Control · Electrical Eng. & Systems 2025-03-18 Myisha A. Chowdhury , Qiugang Lu

Battery short-term electrical impedance behavior varies between linear, linear time-varying, or nonlinear at different operating conditions. Data-based electrical impedance modeling techniques often model the battery as a linear…

Systems and Control · Computer Science 2018-05-17 Rishi Relan , Koen Tiels , Jean-Marc Timmermans , Johan Schoukens

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,…

In this study, we introduce a sensitivity analysis methodology for stochastic systems in chemistry, where dynamics are often governed by random processes. Our approach is based on gradient estimation via finite differences, averaging…

Quantitative Methods · Quantitative Biology 2026-01-12 Erika M. Herrera Machado , Jakob L. Andersen , Rolf Fagerberg , Daniel Merkle

Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed…

Mechanistic mathematical models of biological systems usually contain a number of unknown parameters whose values need to be estimated from available experimental data in order for the models to be validated and used to make quantitative…

Quantitative Methods · Quantitative Biology 2025-06-16 Yue Liu , Philip K. Maini , Ruth E. Baker

In this paper, we study a suitable experimental design of electrochemical impedance spectroscopy (EIS) to reduce the number of frequency points while not significantly affecting the uncertainties of the estimated cell's equivalent circuit…

Systems and Control · Electrical Eng. & Systems 2025-01-13 Vladimir Sovljanski , Mario Paolone , Sylvain Tant , Damien Pierre Sainflou

We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…

Numerical Analysis · Mathematics 2024-03-26 Jaime Mora-Paz

The rapid expansion of electric vehicles has intensified the need for accurate and efficient diagnosis of lithium-ion batteries. Parameter identification of electrochemical battery models is widely recognized as a powerful method for…

Machine Learning · Computer Science 2025-10-29 Hojin Cheon , Hyeongseok Seo , Jihun Jeon , Wooju Lee , Dohyun Jeong , Hongseok Kim

In this contribution we present a new modeling and simulation framework for parametrized Lithium-ion battery cells. We first derive a new continuum model for a rather general intercalation battery cell on the basis of non-equilibrium…

Numerical Analysis · Mathematics 2021-10-13 M. Landstorfer , M. Ohlberger , S. Rave , M. Tacke

Every computer model depends on numerical input parameters that are chosen according to mostly conservative but rigorous numerical or empirical estimates. These parameters could for example be the step size for time integrators, a seed for…

Computational Physics · Physics 2020-09-11 Matthias Frey , Andreas Adelmann

We consider the problem of parameterizing Newman-type models of Li-ion batteries focusing on quantifying the inherent uncertainty of this process and its dependence on the discharge rate. In order to rule out genuine experimental error and…

Computational Physics · Physics 2021-04-14 Jose Morales Escalante , Smita Sahu , Jamie M. Foster , Bartosz Protas

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

This work introduces the use of multivariate global sensitivity analysis for assessing the impact of uncertain electric machine design parameters on efficiency maps and profiles. Contrary to the common approach of applying variance-based…

Computational Engineering, Finance, and Science · Computer Science 2026-04-29 Aylar Partovizadeh , Sebastian Schöps , Dimitrios Loukrezis

We explore the relationship among model fidelity, experimental design, and parameter estimation in sloppy models. We show that the approximate nature of mathematical models poses challenges for experimental design in sloppy models. In many…

Quantitative Methods · Quantitative Biology 2017-02-08 Andrew White , Malachi Tolman , Howard D. Thames , Hubert Rodney Withers , Kathy A. Mason , Mark K. Transtrum

Thermal electrochemical models for porous electrode batteries (such as lithium ion batteries) are widely used. Due to the multiple scales involved, solving the model accounting for the porous microstructure is computationally expensive,…

Chemical Physics · Physics 2020-04-14 Matthew J. Hunt , Ferran Brosa Planella , Florian Theil , W. Dhammika Widanage

Conventional formulation of quantum sensing has been mostly developed in the context of local estimation, where the unknown parameter is roughly known. In contrast, global sensing, where the prior information is incomplete and the unknown…

Quantum Physics · Physics 2025-07-08 Chiranjib Mukhopadhyay , Matteo G. A. Paris , Abolfazl Bayat

The global sensitivity analysis method, used to quantify the influence of uncertain input variables on the response variability of a numerical model, is applicable to deterministic computer code (for which the same set of input variables…

Methodology · Statistics 2009-06-08 Bertrand Iooss , Mathieu Ribatet , Amandine Marrel