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  • Sahar Sharifzadeh
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Project Scientist

Theory of Nanostructured Materials Facility, Molecular Foundry

[email protected]


2009 Ph.D., Electrical Engineering
Princeton University
Supervisor: Emily A. Carter

2003 B.S., Electrical Engineering and Computer Science
UC Berkeley
Research supervisor: Roger T. Howe

Research Interests

My research interests are in understanding and predicting physical properties of materials using first-principles computational methods. My research projects at the Molecular Foundry concern understanding excited states within bulk organic semiconductors and at donor-acceptor interfaces, with the aim of obtaining better control over their performance as renewable energy materials.


  • D.A. Egger, S. Weismann, S. Refaely-Abramson, S. Sharifzadeh, M. Dauth, R. Baer, S. Kummel, J.B. Neaton, E. Zojer, and L. Kronik, J. Chemical Theory and Computation, in press (2014). Abstract
  • S. Refaely-Abramson, S. Sharifzadeh, M. Jain, R. Baer, J. B. Neaton, and L. Kronik, "Gap renormalization of molecular crystals from density-functional theory," Physical Review B 88, 081204(R) (2013). Abstract
  • S. Sharifzadeh, P. Darancet, L. Kronik, and J. B. Neaton, "Low-energy charge-transfer excitons in organic solids from first-principles: The case of pentacene," J. Phys. Chem. Lett. 4, 2197 (2013). Abstract
  • S. Rafaely-Abramson, S. Sharifzadeh, N. Govind, J. Autschbach, J.B. Neaton, R. Baer, L. Kronik, “Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional,” Physical Review Letters109, 226405 (2012). Abstract
  • S. Sharifzadeh, I. Tamblyn, P. Doak, P.T. Darancet, and J.B. Neaton, “Quantitative Molecular Orbital Energies within a G0W0 Approximation,” The European Physical Journal B, 85, 323 (2012). Abstract
  • S. Sharifzadeh, A. Biller, L. Kronik, and J.B. Neaton, "Quasiparticle and Optical Spectroscopy of Organic Semiconductors Pentacene and PTCDA from First Principles," Physical Review B, 85, 125307 (2012). Abstract
  • D.K. Kanan, S. Sharifzadeh, and E.A. Carter, “Quantum Mechanical Modeling of Electronic Excitations in Metal Oxides: Magnesia as a Prototype,” Chemical Physics Letters, 519-520, 18, (2012). Abstract
  • E.B. Isaacs, S. Sharifzadeh, B. Ma, and J.B. Neaton, "Relating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics," J. Physical Chemistry Letters, 2, 2531 (2011). Abstract
  • S. Sharifzadeh, P. Huang, and E. A. Carter, "Origin of tunneling lineshape trends for Kondo states of Co adatoms on coinage metal surfaces," J. Physics: Condensed Matter, 21, 355501 (2009). Abstract
  • S. Sharifzadeh, P. Huang, and E.A. Carter, "All-electron embedded configuration interaction theory for condensed matter electronic structure,"Chemical Physics Letters, 470, 347 (2009). Abstract
  • S. Sharifzadeh, P. Huang, and E.A. Carter, "Embedded cluster description of CO on Cu (111): resolution of the site preference conundrum," J. Physical Chemistry C,112, 4649 (2008). Abstract
  • M.M. Maharbiz, W.J. Holtz, S. Sharifzadeh, J.D. Keasling, and R. T. Howe, “A Microfabricated Electrochemical Oxygen Generator for High-Density Cell Culture Arrays,” J. of Microelectromechanical Systems, 12, 590 (2003). Abstract
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