1.6k citations · 4k across the 47 of their papers we have counts for
4 papers · 1 filter
Stable ordered structures of binary technetium alloys from first principles
Ohad Levy, Junkai Xue, Shidong Wang +2
Technetium, element 43, is the only radioactive transition metal. It occurs naturally on earth in only trace amounts. Experimental investigation of its possible compounds is thus i…
AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo, Wahyu Setyawan, Gus L. W. Hart +11
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastabl…
A high-throughput ab initio review of platinum-group alloy systems
Gus L. W. Hart, Stefano Curtarolo, Thaddeus B. Massalski +1
We report a comprehensive study of the binary systems of the platinum group metals with the transition metals, using high-throughput first-principles calculations. These computatio…
Cluster expansion made easy with Bayesian compressive sensing
Lance J Nelson, Vidvuds Ozolins, Shane Reese +2
Long-standing challenges in cluster expansion (CE) construction include choosing how to truncate the expansion and which crystal structures to use for training. Compressive sensing…