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COnstraint-Based Reconstruction and Analysis (COBRA) provides a molecular mechanistic framework for integrative analysis of experimental data and quantitative prediction of physicochemically and biochemically feasible phenotypic states. The…
The Python Battery Optimisation and Parameterisation (PyBOP) package provides methods for estimating and optimising battery model parameters, offering both deterministic and stochastic approaches with example workflows to assist users.…
We introduce COBRA (Cosmology with Optimally factorized Bases of Radial Approximants), a novel framework for rapid computation of large-scale structure observables. COBRA separates scale dependence from cosmological parameters in the linear…
This paper presents the Battery Modelling Toolbox (BattMo), a flexible finite volume continuum modelling framework in MATLAB\textsuperscript{\textregistered} (\citeproc{ref-MATLAB}{The MathWorks Inc., 2025}) for simulating the performance…
Physics-based battery modelling has emerged to accelerate battery materials discovery and performance assessment. Its success, however, is still hindered by difficulties in aligning models to experimental data. Bayesian approaches are a…
Advancing lithium-ion batteries (LIBs) in both design and usage is key to promoting electrification in the coming decades to mitigate human-caused climate change. Inadequate understanding of LIB degradation is an important bottleneck that…
Lithium-Ion (Li-I) batteries have recently become pervasive and are used in many physical assets. To enable a good prediction of the end of discharge of batteries, detailed electrochemical Li-I battery models have been developed. Their…
Constraint-based metabolic modeling is the predominant framework for simulating cellular metabolism. The central assumption of these models is that metabolism operates at a steady state, meaning that the production and consumption rates of…
Physico-chemical continuum battery models are typically parameterized by manual fits, relying on the individual expertise of researchers. In this article, we introduce a computer algorithm that directly utilizes the experience of battery…
Monitoring battery health is essential for ensuring safe and efficient operation. However, there is an inherent trade-off between assessment speed and diagnostic depth-specifically, between rapid overall health estimation and precise…
Electrochemical batteries are ubiquitous devices in our society. When they are employed in mission-critical applications, the ability to precisely predict the end of discharge under highly variable environmental and operating conditions is…
Selecting an optimal robot, its base pose, and trajectory for a given task is currently mainly done by human expertise or trial and error. To evaluate automatic approaches to this combined optimization problem, we introduce a benchmark…
As demand for computing resources continues to rise, the increasing cost of electricity and anticipated regulations on carbon emissions are prompting changes in data center power systems. Many providers are now operating compute nodes in…
A computer model can be used for predicting an output only after specifying the values of some unknown physical constants known as calibration parameters. The unknown calibration parameters can be estimated from real data by conducting…
We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…
Electrochemical hybrid battery models have major potential to enable advanced physics-based control, diagnostic, and prognostic features for next-generation lithium-ion battery management systems. This is due to the physical significance of…
Redox flow batteries (RFBs) offer the capability to store large amounts of energy cheaply and efficiently, however, there is a need for fast and accurate models of the charge-discharge curve of a RFB to potentially improve the battery…
The fitting or parameter estimation of complex ecological models is a challenging optimisation task, with a notable lack of tools for fitting complex, long runtime or stochastic models. calibrar is an R package that is dedicated to the…
Standard methods in computer model calibration treat the calibration parameters as constant throughout the domain of control inputs. In many applications, systematic variation may cause the best values for the calibration parameters to…
Mathematical modeling of lithium-ion batteries (LiBs) is a primary challenge in advanced battery management. This paper proposes two new frameworks to integrate physics-based models with machine learning to achieve high-precision modeling…