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Dr. Hendrik Heinz

Assistant Professor

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Publications in Peer-Reviewed Journals (invited in italics)

1. Leontidis, E.; Heinz, H.; Palewska, K.; Wallenborn, E.-U.; Suter; U. W.
   J. Chem. Phys., 2001, 114, 3224-3235.
   "Normal and defective perylene substitution sites in alkane crystals"
2. Heinz, H.; Suter, U. W.; Leontidis, E.
   J. Am. Chem. Soc. 2001, 123, 11229–11236.
   "Simple and Accurate Computations of Solvatochromic Shifts in pi ->pi* Transitions of Aromatic Chromophores"
3. Heinz, H.; Castelijns, H. J.; Suter, U. W.
   J. Am. Chem. Soc. 2003, 125, 9500–9510.
   "Structure and Phase Transitions of Alkyl Chains on Mica"
4. Heinz, H.; Suter, U. W.
   J. Phys. Chem. B 2004, 108, 18341–18352.
   "Atomic Charges for Classical Simulations of Polar Systems"
5. Heinz, H.; Suter, U. W.           
   Angew. Chem. Int. Ed. 2004, 43, 2239–2243.
   "Surface Structure of Organoclays"
6. Heinz, H.; Paul, W.; Suter, U. W.; Binder, K.
   J. Chem. Phys. 2004, 120, 3847–3854.
   "Analysis of the Phase Transitions in Alkyl-Mica by Density and Pressure Profiles"
7. Pandey, R. B.; Anderson, K. L.; Heinz, H.; Farmer, B. L.
   J. Polym. Sci. B 2005, 43, 1041–1046.
   "Conformation and Dynamics of a Self-Avoiding Sheet: Bond-Fluctuation Computer  Simulation"
8. Heinz, H.; Koerner, H.; Vaia, R. A.; Anderson, K. L.; Farmer, B. L.
   Chem. Mater. 2005, 17, 5658–5669.
   "Force Field for Phyllosilicates and Dynamics of Octadecylammonium Chains Grafted to Montmorillonite"
9. Heinz, H.; Paul, W.; Binder, K.
   Phys. Rev. E, 2005, 72, 066704:1–10.
   "Calculation of Local Pressure Tensors in Systems with Many-Body Interactions"
10. Heinz, H.; Vaia, R. A.; Farmer, B. L.
     J. Chem. Phys., 2006, 124, 224713:1–9.
     “Interaction Energy and Surface Reconstruction between Sheets of Layered Silicates"
11. Jacobs, J. D.; Koerner, H.; Heinz, H.; Farmer, B. L.; Mirau, P. A.; Garrett, P. H.; Vaia, R. A.
    J. Phys. Chem. B 2006, 110, 20143−20157.
    "Dynamics of Alkyl Ammonium Intercalants within Organically Modified Montmorillonite: Dielectric Relaxation and Ionic Conductivity"
12. Heinz, H.; Vaia, R. A.; Krishnamoorti, R.; Farmer, B. L.
    Chem. Mater. 2007, 19, 59−68.
    “Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Chain Length,  Headgroup Structure, and Cation Exchange Capacity”
13. Heinz, H.
    Molecular Simulation, special issue 2007 (in press).
    “Calculation of Local and Average Pressure Tensors in Molecular Simulation”
14. Virnau, P.; Heinz, H.; Müller, M.
    Submitted.
    “A 3:1 Coarse-Grained Model for the Simulation of Hydrocarbon Chains”
15. Heinz, H.; Vaia, R. A.; Farmer, B. L.
    In preparation.
     "Molecular dynamics simulation of the light-induced trans-cis isomerization of azobenzene between montmorillonite sheets for actuator applications”

Conference Proceedings

1. Heinz, H.; Anderson, K. L.; Koerner, H.; Vaia, R. A.; Farmer, B. L.
   Polymeric Materials: Science and Engineering 2005, 93, 917-918.
   “Towards Quantitative Modeling of Surface Properties in Inorganic-Organic Hybrid Materials”
2. Heinz, H.; Vaia, R. A.; Farmer, B. L.
   Polymer Preprints 2005, 46 (2).
   “Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Chain Length, Head Group Structure, and Cation Exchange Capacity”
3. Heinz, H.; Vaia, R. A.; Farmer, B. L.
   Polymeric Materials: Science and Engineering 2005, 93, 921-922.
   “Free Energy of Exfoliation Between Layered Silicate Sheets”

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