Eric B. Isaacs
Postdoctoral Fellow, Wolverton Group
Department of Materials Science & Engineering
McCormick School of Engineering
2220 Campus Drive, Cook 2036
Evanston, IL 60208
firstname [dot] lastname [at] northwestern [dot] edu
Energy conversion (photovoltaic, photocatalytic, and thermoelectric) and storage (Li ion battery) materials, strongly correlated materials, materials informatics, first-principles electronic structure calculations.
- Electronic structure and phase stability of Yb-filled skutterudite CoSb3 from first principles
E. B. Isaacs and C. Wolverton, arXiv:1904.07983
- Compositional phase stability of correlated electron materials within DFT+DMFT
E. B. Isaacs and C. A. Marianetti, arXiv:1903.10436
- Materials Informatics Approach to the Identification of One-Band Correlated Materials Analogous to the Cuprates
E. B. Isaacs and C. Wolverton, Phys. Rev. X 9, 021042 (2019)
- Remarkable thermoelectric performance in BaPdS2 via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity
E. B. Isaacs and C. Wolverton, Phys. Rev. Materials 3, 015403 (2019)
- Performance of the strongly constrained and appropriately normed density functional for solid-state materials
E. B. Isaacs and C. Wolverton, Phys. Rev. Materials 2, 063801 (2018).
- Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics
E. B. Isaacs and C. Wolverton, Chem. Mater. 30, 1540 (2018).
- Compositional phase stability of strongly correlated electron materials within DFT+U
E. B. Isaacs and C. A. Marianetti, Phys. Rev. B 95, 045141 (2017).
- Electronic correlations in monolayer VS2
E. B. Isaacs and C. A. Marianetti, Phys. Rev. B 94, 035120 (2016).
- Adsorption Characteristics and Size/Shape Dependence of Pt Clusters on the CdS Surface
S. Xiong, E. B. Isaacs, and Y. Li, J. Phys. Chem. C 119, 4834 (2015).
- Ideal strength and phonon instability of strained monolayer materials
E. B. Isaacs and C. A. Marianetti, Phys. Rev. B 89, 184111 (2014).
- Relating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics
E. B. Isaacs, S. Sharifzadeh, B. Ma, and J. B. Neaton, J. Phys. Chem. Lett. 2, 2531 (2011).