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Eric Isaacs
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Performance of the strongly constrained and appropriately normed density functional for solid-state materials
EB Isaacs, C Wolverton
Physical Review Materials 2 (6), 063801, 2018
1492018
Electronic correlations in monolayer VS
EB Isaacs, CA Marianetti
Physical Review B 94 (3), 035120, 2016
672016
Relating trends in first-principles electronic structure and open-circuit voltage in organic photovoltaics
EB Isaacs, S Sharifzadeh, B Ma, JB Neaton
The Journal of Physical Chemistry Letters 2 (20), 2531-2537, 2011
512011
High performance thermoelectric module through isotype bulk heterojunction engineering of skutterudite materials
G Nie, W Li, J Guo, A Yamamoto, K Kimura, X Zhang, EB Isaacs, V Dravid, ...
Nano Energy 66, 104193, 2019
432019
Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics
EB Isaacs, C Wolverton
Chemistry of Materials 30 (5), 1540-1546, 2018
412018
Ideal strength and phonon instability of strained monolayer materials
EB Isaacs, CA Marianetti
Physical Review B 89 (18), 184111, 2014
332014
Prediction of Li intercalation voltages in rechargeable battery cathode materials: Effects of exchange-correlation functional, van der Waals interactions, and Hubbard U
EB Isaacs, S Patel, C Wolverton
Physical Review Materials 4 (6), 065405, 2020
202020
Electronic Structure and Phase Stability of Yb-Filled CoSb3 Skutterudite Thermoelectrics from First-Principles
EB Isaacs, C Wolverton
Chemistry of Materials 31 (16), 6154-6162, 2019
202019
Remarkable thermoelectric performance in via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity
EB Isaacs, C Wolverton
Physical Review Materials 3 (1), 015403, 2019
182019
Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction
M Kothakonda, AD Kaplan, EB Isaacs, CJ Bartel, JW Furness, J Ning, ...
ACS Materials Au 3 (2), 102-111, 2022
152022
Adsorption Characteristics and Size/Shape Dependence of Pt Clusters on the CdS Surface
S Xiong, EB Isaacs, Y Li
The Journal of Physical Chemistry C 119 (9), 4834-4842, 2015
142015
Compositional phase stability of correlated electron materials within
EB Isaacs, CA Marianetti
Physical Review B 102 (4), 045146, 2020
132020
Inverse Design of Ultralow Lattice Thermal Conductivity Materials via Materials Database Screening of Lone Pair Cation Coordination Environment
EB Isaacs, GM Lu, C Wolverton
The Journal of Physical Chemistry Letters, 2020
132020
Compositional phase stability of strongly correlated electron materials within DFT+
EB Isaacs, CA Marianetti
Physical Review B 95 (4), 045141, 2017
132017
Materials Informatics Approach to the Identification of One-Band Correlated Materials Analogous to the Cuprates
EB Isaacs, C Wolverton
Physical Review X 9 (2), 021042, 2019
102019
Assessing the accuracy of compound formation energies with quantum Monte Carlo
EB Isaacs, H Shin, A Annaberdiyev, C Wolverton, L Mitas, A Benali, ...
Physical Review B 105 (22), 224110, 2022
52022
Composition-based phase stability model for multicomponent metal alloys
JC Spendlove, BH Fong, JH Martin, MR O’Masta, A Pan, TA Schaedler, ...
AIP Advances 14 (1), 2024
2024
Compositional phase stability of correlated electron materials within DFT plus DMFT
EB Isaacs, CA Marianetti
PHYSICAL REVIEW B 102 (4), 2020
2020
Electronic structure and phase stability of strongly correlated electron materials
EB Isaacs
Columbia University, 2016
2016
Impact of strong electronic correlations on the phase stability of oxide and phosphate intercalation materials
E Isaacs, C Marianetti
APS March Meeting Abstracts 2015, Y34. 011, 2015
2015
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