SurfinPy 2.0 - SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases

Release following peer review and acceptance in the journal of open source software. SurfinPy is a python module for generating phase diagrams from Density Functional Theory data. The previous code release, reported in Adam R. Symington et. al., calculated the surface free energy under different external conditions, and used these surface free energies to generate phase diagrams. These phase diagrams can and have been used to provide an understanding of surface composition under various environmental conditions, thus providing crucial information for a range of materials science problems. In this new release, the code has been expanded to generate phase diagrams for bulk phases, as well as surface phases.

Scientific Software - Peer-reviewed - Python
Published by symmy596 almost 4 years ago

SurfinPy 2.0 - SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases

SurfinPy is a python module for generating phase diagrams from Density Functional Theory data. The previous code release, reported in Adam R. Symington et. al., calculated the surface free energy under different external conditions, and used these surface free energies to generate phase diagrams. These phase diagrams can and have been used to provide an understanding of surface composition under various environmental conditions, thus providing crucial information for a range of materials science problems. In this new release, the code has been expanded to generate phase diagrams for bulk phases, as well as surface phases.

Scientific Software - Peer-reviewed - Python
Published by symmy596 about 4 years ago

SurfinPy 2.0 - Expanded Plotting Options

Surfinpy has been updated to allow a wider range of plots to be generated.

Scientific Software - Peer-reviewed - Python
Published by symmy596 almost 7 years ago

SurfinPy 2.0 - JOSS Publication

surfinpy was accepted for publication on the 20/02/2019 in the journal of open source software. This release corresponds to the software post review.

Scientific Software - Peer-reviewed - Python
Published by symmy596 about 7 years ago

SurfinPy 2.0 - Pre Submission Release

Scientific Software - Peer-reviewed - Python
Published by symmy596 about 7 years ago