pyMolDyn: Identification, structure, and properties of cavities/vacancies in condensed matter and molecules
Author:
Affiliation:
1. PGI/JCNS-TA; Forschungszentrum Jülich; D-52425 Jülich Germany
2. Peter Grünberg Institut PGI-1; Forschungszentrum Jülich; D-52425 Jülich Germany
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24697/fullpdf
Reference33 articles.
1. Structural phase transitions on the nanoscale: The crucial pattern in the phase-change materialsGe2Sb2Te5and GeTe
2. Amorphous structures of Ge/Sb/Te alloys: Density functional simulations
3. Structural role of vacancies in the phase transition of Ge2Sb2Te5memory materials
4. The Bakerian Lecture, 1962 The structure of liquids
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