Highlights
The Angular Localization Function (ALF): A Practical Tool for Measuring the Angular Ordering of Solvents Using Molecular Density Functional Theory
This article introduces a new function, ALF, which analyses the spatial and angular distribution of molecules generated by simulations to identify regions where molecules exhibit a pronounced preferential orientation.
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The combination of physical models and machine learning enables realistic simulation of nanoporous carbon electrodes.
At a fixed structural disorder, the capacity indeed increases as the pore size decreases below one nanometer.
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BAT360°: Looking back at the first PEPR Batteries summer school – A 360° view of battery challenges
From 1 to 4 June 2026, PEPR Batteries held its first summer school, BAT360°, in La Grande Motte, France. Designed for the programme’s PhD students and postdocs, the school offered a 360° view of the scientific, technological and societal challenges of batteries, combining lectures, specialised seminars and discussions with experts.
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