Eric B. Isaacs
Postdoctoral Fellow, Wolverton Group
Department of Materials Science & Engineering
McCormick School of Engineering
Northwestern University
Member, Northwestern Argonne Institute of Science & Engineering
Materials Science Division
Argonne National Laboratory
Contact:
2220 Campus Drive, Cook 2036
Evanston, IL 60208
firstname [dot] lastname [at] northwestern [dot] edu
Research Interests
Energy conversion (photovoltaic, photocatalytic, and thermoelectric) and storage (Li ion battery) materials, strongly correlated materials, materials informatics, first-principles electronic structure calculations.
Education
- Ph.D. Applied Physics, Columbia University, 2016
- B.A. Physics, University of California, Berkeley, 2010
- Advisor: Jeff Neaton
Publications
- Compositional phase stability of correlated electron materials within DFT+DMFT
E. B. Isaacs and C. A. Marianetti, Phys. Rev. B 102, 045146 (2020)
- Inverse Design of Ultralow Lattice Thermal Conductivity Materials via Materials Database Screening of Lone Pair Cation Coordination Environment
E. B. Isaacs, G. M. Lu, and C. Wolverton, J. Phys. Chem. Lett. 11, 5577 (2020)
- Prediction of Li intercalation voltages in rechargeable battery cathode materials: effects of exchange-correlation functional, van der Waals interactions, and Hubbard U
E. B. Isaacs, S. Patel, and C. Wolverton, Phys. Rev. Materials 4, 065405 (2020)
- High performance thermoelectric module through isotype bulk heterojunction engineering of skutterudite materials
G. Nie, W. Li, J. Guo, A. Yamamoto, K. Kimura, X. Zhang, E. B. Isaacs, V. Dravid, C. Wolverton, M. G. Kanatzidis, and S. Priya, Nano Energy 66, 104193 (2019)
- Electronic Structure and Phase Stability of Yb-filled CoSb3 Skutterudite Thermoelectrics from First Principles
E. B. Isaacs and C. Wolverton, Chem. Mater. 31, 6154 (2019)
- 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)
