GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model☆

By M. Blanco, E. Francisco, Víctor Luaña. 2004

1,871 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Geophysics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/d27adb7aa68d56279cfaa82fb0e6ce1653f4aec1

How researchers see this paper

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In Atomic and Molecular Physics, and Optics

1. Zi-kui Liu
2. Jeffrey B. Neaton
3. Shyue Ping Ong
4. Tess E. Smidt
5. Kristin A. Persson

In Geophysics

1. Shyue Ping Ong
2. Tess E. Smidt

In Materials Chemistry

1. Shyue Ping Ong
2. Kristin A. Persson
3. Anubhav Jain
4. Muratahan Aykol
5. Iek Heng Chu
6. K. Mathew
7. Zi-kui Liu
8. Tess E. Smidt

Citations in the corpus

• Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows (2017, methodology): “For the other thermal properties the default post-processing step of the workflow is to feed the generated energy-volume data to the quasi-harmonic Debye approximation [49,50] as implemented in pymatgen to compute the thermal properties of interest.”