Concepedia

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

Stefano Curtarolo, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson, Gus L. W. Hart, Stefano Sanvito, Marco Buongiorno Nardelli,

Computational Materials Science · 2012 · 1.1K citations · 23 references

DOI

Concepts

References

23

High-throughput electronic band structure calculations: Challenges and tools

Wahyu Setyawan, Stefano Curtarolo · Computational Materials Science · 2010 · 1.7K citations · Full text

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AFLOW: An automatic framework for high-throughput materials discovery

Stefano Curtarolo, Wahyu Setyawan, Gus L. W. Hart et al. · Computational Materials Science · 2012 · 1.5K citations · Full text

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New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design

Mariette Hellenbrandt, V. L. Karen, Peter Luksch · Acta Crystallographica Section B Structural Science · 2002 · 1.4K citations

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Enhanced Thermoelectric Figure-of-Merit in Nanostructured p-type Silicon Germanium Bulk Alloys

Giri Joshi, Hohyun Lee, Yucheng Lan et al. · Nano Letters · 2008 · 1.1K citations

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A high-throughput infrastructure for density functional theory calculations

Anubhav Jain, Geoffroy Hautier, Charles Moore et al. · Computational Materials Science · 2011 · 1.1K citations

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