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19962013
most citedAFLOW: An automatic framework for high-throughput materials discovery

1.6k citations · 2.8k across the 12 of their papers we have counts for

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Showing 2011Show all

2 papers · 1 filter

cond-mat.mtrl-sci2011★ 767 cited

Heat transport in silicon from first principles calculations

Keivan Esfarjani, Gang Chen, Harold T. Stokes

Using harmonic and anharmonic force constants extracted from density-functional calculations within a supercell, we have developed a relatively simple but general method to compute…

cond-mat.mtrl-sci2011★ 26 cited

First Principles Phase Diagram Calculations for the Octahedral-Interstitial System ZrO,

Benjamin P. Burton, Axel van de Walle, Harold T. Stokes

First principles based phase diagram calculations were performed for the octahedral-interstitial solid solution system αZrOX (αZr[ ]_(1-X)OX; [ ]=Vacancy; 0 \leq X \leq 1/2). The c…