New publication in Computer Physics Communications
A full description of the software tool for Piecewise Polynomial Potential Partitioning (P4) model has been published in Computer Physics Communications. The P4 model is a unique computational model for free energy calculation of mechanically unstable but dynamically stabilized disordered phases.
Software tools for thermodynamic calculation of mechanically unstable phases from first-principles data Heading link
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Modified on September 07, 2019