Materials Informatics Approach to the Identification of One-Band Correlated Materials Analogous to the Cuprates von Isaacs, Eric B., Wolverton, Chris

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Performance of the strongly constrained and appropriately normed density functional for solid-state materials von Isaacs, Eric B., Wolverton, Chris

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Composition-based phase stability model for multicomponent metal alloys von Spendlove, Jay C., Fong, Bryan H., Martin, John H., O’Masta, Mark R., Pan, Andrew, Schaedler, Tobias A., Isaacs, Eric B.

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Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics von Isaacs, Eric B, Wolverton, Chris

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Electronic Structure and Phase Stability of Yb-Filled CoSb3 Skutterudite Thermoelectrics from First-Principles von Isaacs, Eric B, Wolverton, Christopher

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Inverse Design of Ultralow Lattice Thermal Conductivity Materials via Materials Database Screening of Lone Pair Cation Coordination Environment von Isaacs, Eric B, Lu, Grace M, Wolverton, Christopher

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Adsorption Characteristics and Size/Shape Dependence of Pt Clusters on the CdS Surface von Xiong, Shangmin, Isaacs, Eric B, Li, Yan

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Relating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics von Isaacs, Eric B, Sharifzadeh, Sahar, Ma, Biwu, Neaton, Jeffrey B

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Compositional phase stability of correlated electron materials within DFT + DMFT von Isaacs, Eric B., Marianetti, Chris A.

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Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction von Kothakonda, Manish, Kaplan, Aaron D., Isaacs, Eric B., Bartel, Christopher J., Furness, James W., Ning, Jinliang, Wolverton, Chris, Perdew, John P., Sun, Jianwei

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Testing the r 2 SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction von Kothakonda, Manish, Kaplan, Aaron D, Isaacs, Eric B, Bartel, Christopher J, Furness, James W, Ning, Jinliang, Wolverton, Chris, Perdew, John P, Sun, Jianwei

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Compositional phase stability of strongly correlated electron materials within DFT+ U von Isaacs, Eric B., Marianetti, Chris A.

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Electronic Structure and Phase Stability of Yb-Filled CoSb 3 Skutterudite Thermoelectrics from First-Principles von Isaacs, Eric B., Wolverton, Christopher

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Ideal strength and phonon instability of strained monolayer materials von Isaacs, Eric B., Marianetti, Chris A.

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Remarkable thermoelectric performance in BaPdS2 via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity von Isaacs, Eric B., Wolverton, Chris

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Prediction of Li intercalation voltages in rechargeable battery cathode materials: Effects of exchange-correlation functional, van der Waals interactions, and Hubbard U von Isaacs, Eric B., Patel, Shane, Wolverton, Chris

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High performance thermoelectric module through isotype bulk heterojunction engineering of skutterudite materials von Nie, Ge, Li, Wenjie, Guo, Junqing, Yamamoto, Atsushi, Kimura, Kaoru, Zhang, Xiaomi, Isaacs, Eric B., Dravid, Vinayak, Wolverton, Chris, Kanatzidis, Mercouri G., Priya, Shashank

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Remarkable thermoelectric performance in BaPdS 2 via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity von Isaacs, Eric B., Wolverton, Chris

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Assessing the accuracy of compound formation energies with quantum Monte Carlo von Isaacs, Eric B., Shin, Hyeondeok, Annaberdiyev, Abdulgani, Wolverton, Chris, Mitas, Lubos, Benali, Anouar, Heinonen, Olle

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High performance thermoelectric module through isotype bulk heterojunction engineering of skutterudite materials von Nie, Ge, Li, Wenjie, Guo, Junqing, Yamamoto, Atsushi, Kimura, Kaoru, Zhang, Xiaomi, Isaacs, Eric B., Dravid, Vinayak, Wolverton, Chris, Kanatzidis, Mercouri G., Priya, Shashank

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