Sierka Lab – Computational Materials Science

Sierka Lab – Computational Materials Science

Multi-Scale Modeling of Complex Materials

  • Home
  • Group
  • Research
    • Methods Development
    • Applications
  • Publications
    • 2020
    • 2019-2018
    • 2017-2015
    • 2014-2013
    • 2012
    • 2011
    • 2010
    • 2008-2009
    • 2006-2007
    • 2004-2005
    • 2001-2003
    • 1996-2000
  • Open Positions
  • Teaching

2012

86. Al6H18: A baby crystal of γ-AlH3
K. Boggavarapu, A. Kandalam, J. Xu, Y. Ding, M. Sierka, K. Bowen, H. Schnöckel
J. Chem. Phys. 2012, 137, 134303-1-134303-5
85. A Periodic Charge-Dipole Electrostatic Model: Parametrization for Silver Slabs
I. V. Bodrenko, M. Sierka, E. Fabiano, F. Della Sala
J. Chem. Phys. 2012, 137, 134702-1-134702-12
84. Fast Atom Diffraction During Grazing Scattering From a MgO(001) Surface
A. Schüller, D. Blauth, J. Seifert, M. Busch, H. Winter, K. Gärtner, R. Włodarczyk, J. Sauer, M. Sierka
Surf. Sci. 2012, 606, 161–173
83. Thin Silica Films on Ru(0001): Monolayer, Bilayer And Three-Dimensional Networks of [SiO4] Tetrahedra
B. Yang, W. E. Kaden, X. Yu, J. A. Boscoboinik, Y. Martynova, L. Lichtenstein, M. Heyde, M. Sterrer, R. Wlodarczyk, M. Sierka, J. Sauer, S. Shaikhutdinov, H.-J. Freund
Phys. Chem. Chem. Phys. 2012, 14, 11344-11351
82. Modelling Zeolites via Metal Supported, Two-Dimensional Aluminosilicate Films
J. A. Boscoboinik, X. Yu, B. Yang, F. D. Fischer, R. Włodarczyk, M. Sierka, S. Shaikhutdinov, J. Sauer, H.-J. Freund
Angew. Chem. Int. Ed. 2012, 51, 6005-6008; Angew. Chem. 2012, 124, 6107-6111
81. Tuning The Electronic Structure of Ultrathin Crystalline Silica Films on Ru(0001)
R. Włodarczyk, M. Sierka, J. Sauer, D. Löffler, J. J. Uhlrich, X. Yu, B. Yang, I. M. N. Groot, S. Shaikhutdinov, H.-J. Freund
Phys. Rev. B 2012, 85, 085403-1-085403-8
80. Structure Determination of Neutral MgO Clusters – Hexagonal Nanotubes And Cages
M. Haertelt, A. Fielicke, G. Meijer, K. Kwapien, M. Sierka, J. Sauer
Phys. Chem. Chem. Phys. 2012, 14, 2849-2856
79. The Atomic Structure of a Metal-Supported Vitreous Thin Silica Film
L. Lichtenstein, C. Büchner, B. Yang, S. Shaikhutdinov, M. Heyde, M. Sierka, R. Włodarczyk, J. Sauer, H.-J. Freund
Angew. Chem. Int. Ed. 2012, 51, 404–407; Angew. Chem. 2012, 124, 416–420
78. Unprecedented Selectivity to the Direct Desulfurization (DDS) Pathway in a Highly Active FeNi Bimetallic Phosphide Catalyst
S. T. Oyama, H. Zhao, H.-J. Freund, K. Asakura, R. Włodarczyk, M. Sierka
J. Catal. 2012, 285, 1-5
77. Similarity Recognition of Molecular Structures by Optimal Atomic Matching and Rotational Superposition
B. Helmich, M. Sierka
J. Comput. Chem. 2012, 33, 134–140
  • Address

    Computational Materials Science Group

    Otto Schott Institute of Materials Research

    Faculty of Physics and Astronomy

    Friedrich-Schiller-Universität Jena

    Löbdergraben 32

    D-07743 Jena

    Germany

  • Projects

    Priority Programme SPP 1959

    CRC 1278 - Polymer-based nanoparticle libraries for targeted anti-inflammatory strategies
  • News

© Sierka Lab – Computational Materials Science.