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19962026
most citedA General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials

1.8k citations · 6.6k across the 53 of their papers we have counts for

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Showing 1998 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci1998★ 140 cited

Cation- and vacancy-ordering in Li_xCoO_2

C. Wolverton, Alex Zunger

Using a combination of first-principles total energies, a cluster expansion technique, and Monte Carlo simulations, we have studied the Li/Co ordering in LiCoO_2 and Li-vacancy/Co…

cond-mat.mtrl-sci1998★ 20 cited

Evaluating and improving the cluster variation method entropy functional for Ising alloys

Luiz G. Ferreira, C. Wolverton, Alex Zunger

The success of the "Cluster Variation Method" (CVM) in reproducing quite accurately the free energies of Monte Carlo (MC) calculations on Ising models is explained in terms of iden…