20 citations · 20 across the 2 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 20 cited
Inverse Design of Ultralow Lattice Thermal Conductivity Materials Via Lone Pair Cation Coordination Environment
Eric B. Isaacs, Grace M. Lu, Christopher Wolverton
The presence of lone pair (LP) electrons is strongly associated with the disruption of lattice heat transport, which is a critical component of strategies to achieve efficient ther…
cond-mat.mtrl-sci2020
Prediction of Li intercalation voltages in rechargeable battery cathode materials: effects of exchange-correlation functional, van der Waals interactions, and Hubbard
Eric B. Isaacs, Shane Patel, Chris Wolverton
Quantitative predictions of the Li intercalation voltage and of the electronic properties of rechargeable battery cathode materials are a substantial challenge for first-principles…