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3-D Meso-Scale Finite Element Calculations of Free Energy on Twin Boundaries in Magnetic Shape Memory Alloys ...

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The objective of this tutorial is to provide a comprehensive overview of the string method and its usage to determine a detailed transition pathway and the free-energy difference between two ...

Alchemical free energy calculations typically rely on intermediate states to bridge between the relevant phase spaces of the two end states. These intermediate states are usually created by mixing the ...

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