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SEI-Model-Active-Learning
SEI-Model-Active-Learning PublicWorkflow for Solid Electrolyte Interface (SEI) model within Active Learning approach
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- MXene-Monolayers Public
Here, we investigate the structural, electronic, optical, and excitonic properties of 2D MXene monolayers by using a combination of first-principles and semi-empirical methods.
KIT-Workflows/MXene-Monolayers’s past year of commit activity - GenChromatographyResin Public
A workflow for generating all-atom structures polymer network, used as a chromatography resin.
KIT-Workflows/GenChromatographyResin’s past year of commit activity - Au-alloy-supported-on-graphene Public
Stability and catalytic modulation in the evolution of single-atom catalysts to Au–alloy clusters supported on graphene
KIT-Workflows/Au-alloy-supported-on-graphene’s past year of commit activity - EV_Analysis Public
KIT-Workflows/EV_Analysis’s past year of commit activity - Structure_creation Public
KIT-Workflows/Structure_creation’s past year of commit activity - Halide-Perovskites Public
Assessment of Empirical and Semi-Empirical van der Waals Methods for Halide Perovskites into Density Functional Theory Approach
KIT-Workflows/Halide-Perovskites’s past year of commit activity
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