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The CAMELLIA project focuses on predicting and designing the electrocatalytic properties of nanoparticles using advanced computational methods. By employing electronic structure calculations and machine learning techniques, it aims to create a comprehensive database of electrocatalytic interfaces to enhance fuel cell t…
The aim of project CAMELLIA (ComputAtional Mapping of ELectrocataLytic InterfAces) is to derive fundamental insights, predict and design electrocatalytic properties (activity, selectivity, stability) of nanoparticles with realistic sizes, under operando conditions.
To achieve this goal, a computational approach, based on electronic structure methods – Density Functional Theory calculations – in conjunction with newly developed Artificial Neural Network-trained interatomic potentials, is used.
Co…
TECHNICAL UNIVERSITY OF DENMARK DTU
DANMARKS TEKNISKE UNIVERSITET
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