The Open Quantum Materials Database (OQMD): Assessing the Accuracy of DFT Formation Energies
npj Computational Materials（2015）
关键词
Computational methods,Electronic structure,Materials chemistry,Materials for energy and catalysis,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics
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