Education:
 Ph.D. Physics, FriedrichSchillerUniversity Jena, Germany 2010
 M.S. FriedrichSchillerUniversity Jena, Germany 2006
 B.S. Technical University Chemnitz, Germany 2004
Academic Positions:
 Assistant Professor of Materials Science and Engineering, University of Illinois at UrbanaChampaign (2013Present)
 Blue Waters Professor (2014Present)
 Directorate Postdoctoral researcher, Lawrence Livermore National Laboratory (20112013)
 Postdoctoral researcher, FriedrichSchillerUniversity Jena, Germany (20102011)
Research Interests:
We study excited electronic states and their dynamics in various materials using accurate computational methods. We make use of modern supercomputers in order to understand, for instance, how light is absorbed in photovoltaic materials. Ultimately, I would like to build the knowledge necessary to design new and better materials for various applications entirely based on simulations. Admittedly, this is still a great challenge that requires experimental and theoretical scientists working hand in hand.
Due to the rapidly increasing capabilities of modern computing clusters and supercomputers, computational materials science nowadays is in a unique position of exploiting recent developments of sophisticated parameterfree methods with predictive accuracy; those imposed insurmountable challenges only a few years ago.
I am highly interested in developing a thorough comprehension of excited electronic states and their dynamics for predictive computational materials design. This challenging goal can be reached by leveraging the excellent experimental and theoretical capabilities, as well as powerful computational infrastructure such as the Blue Waters. This will enable me to answer fundamental open questions in materials science to solve outstanding problems of future technologies and energy applications.
Selected Publications:
 de Carvalho, L. Cláudio, Schleife, A. , Furthmüller, J. & Bechstedt, F. . Ab initio calculation of optical properties with excitonic effects in wurtzite In_x Ga_1x N and In_x Al_1x N alloys. Phys. Rev. B 87, 195211 (2013)
 Schleife, A. , Varley, J. B. , Janotti, A. & Van de Walle, C. G. . Conductivity and transparency of TiO_2 from first principles. Proc. SPIE 8822, 882205 (2013)
 Schleife, A. , Rinke, P. , Bechstedt, F. & Van de Walle, C. G. . Enhanced Optical Absorption Due to Symmetry Breaking in TiO_2(1x) S_2x Alloys. J. Phys. Chem. C 117, 4189–4193 (2013)
 Schleife, A. et al. Erratum: Tin dioxide from first principles: Quasiparticle electronic states and optical properties [Phys. Rev. B 83, 035116 (2011)]. Phys. Rev. B 87, 239901 (2013)
 Farahani, S. K. Vashegh, McConville, C. F. , Veal, T. D. & Schleife, A. . Impact of degenerate ndoping on the optical absorption edge in transparent conducting cadmium oxide. Proc. SPIE 8626, 862604 (2013)
 Schleife, A. & Bechstedt, F. . Ab initio description of quasiparticle band structures and optical nearedge absorption of transparent conducting oxides. J. Mater. Res. 27, 2180–2189 (2012)
 Höffling, B. , Schleife, A. , Rödl, C. & Bechstedt, F. . Band discontinuities at SiTCO interfaces from quasiparticle calculations: Comparison of two alignment approaches. Phys. Rev. B 85, 035305 (2012)
 Furthmüller, J. et al. Clustering of N impurities in ZnO. Appl. Phys. Lett. 100, 022107 (2012)
 de Carvalho, L. Cláudio, Schleife, A. , Furthmüller, J. & Bechstedt, F. . Distribution of cations in wurtzitic In_x Ga_1x N and In_x Al_1x N alloys: Consequences for energetics and quasiparticle electronic structures. Phys. Rev. B 85, 115121 (2012)
 Küfner, S. , Schleife, A. , Höffling, B. & Bechstedt, F. . Energetics and approximate quasiparticle electronic structure of lowindex surfaces of SnO_2. Phys. Rev. B 86, 075320 (2012)
 Rinke, P. et al. FirstPrinciples Optical Spectra for F Centers in MgO. Phys. Rev. Lett. 108, 126404 (2012)
 Schleife, A. , Draeger, E. W. , Kanai, Y. & Correa, A. A. . Planewave pseudopotential implementation of explicit integrators for timedependent KohnSham equations in largescale simulations. J. Chem. Phys. 137, 22A546 (2012)
 Schleife, A. & Bechstedt, F. . Realstructure effects: Absorption edge of Mg_x Zn_1x O, Cd_x Zn_1x O, and ntype ZnO from abinitio calculations. Proc. SPIE 8263, 826309 (2012)
 Kronenberger, A. et al. Structural, electrical, and optical properties of hydrogendoped ZnO films. Phys. Rev. B 86, 115334 (2012)
 Belabbes, A. , de Carvalho, L. Cláudio, Schleife, A. & Bechstedt, F. . Cubic inclusions in hexagonal AlN, GaN, and InN: Electronic states. Phys. Rev. B 84, 125108 (2011)
 Schleife, A. . Electronic and optical properties of MgO, ZnO, and CdO. (Südwestdeutscher Verlag für Hochschulschriften, 2011)
 Schleife, A. , Rödl, C. , Furthmüller, J. & Bechstedt, F. . Electronic and optical properties of Mg_x Zn_1x O and Cd_x Zn_1x O from ab initio calculations. New J. Phys. 13, 085012 (2011)
 de Carvalho, L. Cláudio, Schleife, A. & Bechstedt, F. . Influence of exchange and correlation on structural and electronic properties of AlN, GaN, and InN polytypes. Phys. Rev. B 84, 195105 (2011)
 Riefer, A. et al. Interplay of excitonic effects and van Hove singularities in optical spectra: CaO and AlN polymorphs. Phys. Rev. B 84, 075218 (2011)
 Schleife, A. , Rödl, C. , Fuchs, F. , Hannewald, K. & Bechstedt, F. . Optical Absorption in Degenerately Doped Semiconductors: Mott Transition or Mahan Excitons?. Phys. Rev. Lett. 107, 236405 (2011)
 Schleife, A. et al. Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B 83, 035116 (2011)
 Schleife, A. et al. Ab initio description of heterostructural alloys: Thermodynamic and structural properties of Mg_x Zn_1x O and Cd_x Zn_1x O. Phys. Rev. B 81, 245210 (2010)
 Höffling, B. , Schleife, A. , Fuchs, F. , Rödl, C. & Bechstedt, F. . Band lineup between silicon and transparent conducting oxides. Appl. Phys. Lett. 97, 032116 (2010)
 Schleife, A. . Exciting Imperfection: Realstructure effects in magnesium, cadmium, and zincoxide. Dr. rer. nat. (Ph.D.), (2010)
 Kioupakis, E. , Rinke, P. , Schleife, A. , Bechstedt, F. & Van de Walle, C. G. . Freecarrier absorption in nitrides from first principles. Phys. Rev. B Rapid Comm. 81, 241201 (2010)
 de Carvalho, L. Cláudio, Schleife, A. , Fuchs, F. & Bechstedt, F. . Valenceband splittings in cubic and hexagonal AlN, GaN, and InN. Appl. Phys. Lett. 97, 232101 (2010)


