A high-throughput infrastructure for density functional theory calculations

Computational Materials Science - Tập 50 - Trang 2295-2310 - 2011
Anubhav Jain1, Geoffroy Hautier1, Charles J. Moore1, Shyue Ping Ong1, Christopher C. Fischer1, Tim Mueller1, Kristin A. Persson1, Gerbrand Ceder1
1Massachusetts Institute of Technology, 77 Massachusetts Avenue 13-5056, Cambridge, MA 02139, United States

Tài liệu tham khảo

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