Computational Materials Engineering: Recent Applications of VASP in the MedeA® Software Environment
Author:
Publisher
Korean Ceramic Society
Subject
Ceramics and Composites
Link
http://jkcs.or.kr/upload/pdf/jkcs-53-3-263.pdf
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1. Ab initiomolecular dynamics for liquid metals
2. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
3. Interfacial oxygen and nitrogen induced dipole formation and vacancy passivation for increased effective work functions in TiN/HfO2 gate stacks
4. High-pressure and thermal properties of γ-Mg2SiO4 from first-principles calculations
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