Questions tagged [high-throughput]
The high-throughput tag has no usage guidance.
2
questions
9
votes
1answer
83 views
Reliability about the predicted two-dimensional crystal structures based on DFT high-throughput calculation?
Computational 2D Materials Database (C2DB), 2D structures and layered materials, and 2D Materials Encyclopedia are three major databases for two-dimensional materials based on DFT calculation.
However,...
17
votes
5answers
959 views
Tools for high-throughput DFT studies?
High-throughput density functional theory (DFT) calculations are used to screen for new materials and conduct fundamental research in materials science and materials innovation. It involves ...
