The Open Materials 2024 dataset provides a large-scale, open-access collection of quantum-chemical atomistic simulations that encompasses diverse off-equilibrium crystal structures, thereby making ...
Currently employed computational methods to simulate materials and their mechanical behavior are based on molecular dynamics (MD) with atomistic force-fields. These methods provide an excellent ...
Amorphous gel structures are present in our everyday lives in the form of food, cosmetics, and biological systems. Experiments now show that their formation cannot be explained within the framework of ...
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