Eric Isaacs

Eric Isaacs


Eric B. Isaacs

Postdoctoral Fellow, Wolverton Group
Department of Materials Science & Engineering
McCormick School of Engineering
Northwestern University
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.


  • Electronic structure and phase stability of Yb-filled skutterudite CoSb3 from first principles
    E. B. Isaacs and C. Wolverton, arXiv:1904.07983

    Yb-filled skutterudite CoSb3
  • 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)Single-band correlated materials


  • 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)
    BaPdS2 crystal structure


  • Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics
    E. B. Isaacs and C. Wolverton, Chem. Mater. 30, 1540 (2018).
    Inverse Band Structure Design


  • Compositional phase stability of strongly correlated electron materials within DFT+U
    E. B. Isaacs and C. A. Marianetti, Phys. Rev. B 95, 045141 (2017).LiFePO4





  • 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).
    Organic photovoltaics