Eric B. Isaacs

发表

Inverse Design of Ultralow Lattice Thermal Conductivity Materials via Materials Database Screening of Lone Pair Cation Coordination Environment.

C. Wolverton, Eric B. Isaacs, G. Lu, 2020, The journal of physical chemistry letters.

High performance thermoelectric module through isotype bulk heterojunction engineering of skutterudite materials

Christopher M Wolverton, Atsushi Yamamoto, Vinayak P. Dravid, 2019 .

Assessing the accuracy of compound formation energies with quantum Monte Carlo

A. Benali, O. Heinonen, L. Mitas, 2022, 2204.03441.

Assessing the accuracy of compound formation energies with quantum Monte Carlo

A. Benali, O. Heinonen, L. Mitas, 2022, Physical Review B.

Remarkable thermoelectric performance in BaPdS2 via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity

C. Wolverton, Eric B. Isaacs, 2018, Physical Review Materials.

Compositional phase stability of correlated electron materials within DFT+DMFT

C. Marianetti, Eric B. Isaacs, 2019, 1903.10436.

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

C. Wolverton, Eric B. Isaacs, 2018, Physical Review Materials.

Prediction of Li intercalation voltages in rechargeable battery cathode materials: Effects of exchange-correlation functional, van der Waals interactions, and Hubbard U

C. Wolverton, Eric B. Isaacs, Shane Patel, 2020, Physical Review Materials.

Electronic correlations in monolayer VS$_2$

C. Marianetti, Eric B. Isaacs, 2016, 1602.08483.

Materials Informatics Approach to the Identification of One-Band Correlated Materials Analogous to the Cuprates

C. Wolverton, Eric B. Isaacs, 2018, Physical Review X.

Inverse Design of Ultralow Lattice Thermal Conductivity Materials Via Lone Pair Cation Coordination Environment

C. Wolverton, Eric B. Isaacs, G. Lu, 2020, 2004.01579.

Electronic structure and phase stability of Yb-filled skutterudite CoSb$_3$ from first principles

C. Wolverton, Eric B. Isaacs, 2019 .

Electronic Structure and Phase Stability of Yb-Filled CoSb3 Skutterudite Thermoelectrics from First-Principles

C. Wolverton, Eric B. Isaacs, 2019, Chemistry of Materials.

Relating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics

J. Neaton, S. Sharifzadeh, Biwu Ma, 2011 .

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

C. Wolverton, Eric B. Isaacs, 2018 .

Adsorption Characteristics and Size/Shape Dependence of Pt Clusters on the CdS Surface

Yan Li, Shangmin Xiong, Eric B. Isaacs, 2015 .

Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction

Christopher J. Bartel, J. Perdew, C. Wolverton, 2022, ACS materials Au.

Ideal strength and phonon instability of strained monolayer materials

C. Marianetti, Eric B. Isaacs, 2013, 1311.1497.

Compositional phase stability of strongly correlated electron materials within DFT+ U

C. Marianetti, Eric B. Isaacs, 2016, 1611.03517.