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Structural transitions of calcium carbonate by molecular dynamics simulation
Calcium carbonate (CaCO₃) plays a crucial role in the global carbon cycle, and its phase diagram is of significant scientific interest. We used molecular dynamics to investigate... -
Structural transitions of calcium carbonate by molecular dynamics simulation
Calcium carbonate (CaCO₃) plays a crucial role in the global carbon cycle, and its phase diagram is of significant scientific interest. We used molecular dynamics to investigate... -
Data to the paper "Transport properties of Fe60Al40 during the B2 to A2 struc...
Archive contatins all the data acquired with the respect to the paper mentioned in the title. It is split in three folders by data type: "Fabrication" folder... -
A NN-Potential for phase transformations in Ge
In a recent preprint, entitled: "Development of a machine learning interatomic potential for exploring pressure-dependent kinetics of phase transitions in Germanium", we...
