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TopoMat: a database of high-throughput first-principles calculations of topol...
We present a database of topological materials predicted from high-throughput first-principles calculations. The database contains electronic band structures and topological... -
Data-driven design of metal-organic frameworks for wet flue gas CO2 capture
In this entry is a database of 324,426 hypothetical Metal-Organic Frameworks (MOFs) that were used in a study to screen potential carbon dioxide scrubbers. Using a method to... -
Optimizing accuracy and efficacy in data-driven materials discovery for the s...
The production of hydrogen fuels, via water splitting, is of practical relevance for meeting global energy needs and mitigating the environmental consequences of... -
TopoMat: a database of high-throughput first-principles calculations of topol...
We present a database of topological materials predicted from high-throughput first-principles calculations. The database contains electronic band structures and topological... -
High Dielectric Ternary Oxides from Crystal Structure Prediction and High-thr...
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric...
