Computer-Cluster

• Subject Area: Condensed Matter Physics
• Term: Funded in 2010
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 191582428

• Final Report Year: 2016

Final Report Abstract

No abstract available

Publications

• An Atlas of Two-Dimensional Materials. Chemical Society Reviews (2014) 43, 6537-6554
  P. Miro, M. Audiffred, T. Heine
  (See online at https://doi.org/10.1039/c4cs00102h)
• Different Types of Vibrations Interacting with Electronic Excitations in Phycoerythrin 545 and Fenna-Matthews-Olson Antenna Systems. Journal of Physical Chemistry Letters (2014) 5, pp. 3131-3137
  M. Aghtar, J. Strümpfer, C. Olbrich, K. Schulten and U. Kleinekathöfer
  (See online at https://doi.org/10.1021/jz501351p)
• Quantum Corrections to Thermo- power and Conductivity in Graphene. Physical Review B 89, 075411 (2014)
  A. P. Hinz, E. R. Mucciolo, S. Kettemann
  (See online at https://doi.org/10.1103/PhysRevB.89.075411)
• Hexagonal Transition Metal Chalcogenide Nanoflakes with Pronounced Lateral Quantum Confinement Angewandte Chemie (2015) 53, pp. 12624-12628
  P. Miro, J. H. Han, J. Cheon, T. Heine
  (See online at https://doi.org/10.1002/anie.201404704)
• Outer-membrane Translocation of Bulky Small Molecules by Passive Diffusion. Proceedings of the National Academy of Sciences of the United States of America (2015) 112, E2991-E2999
  B. van den Berg, P. S. Bhamidimarri, D. J. Prajapati, U. Kleinekathöfer and M. Winterhalter
  (See online at https://doi.org/10.1073/pnas.1424835112)
• Photoinduced Charge-Carrier Generation in Epitaxial MOF Thin Films: High Efficiency as a Result of an Indirect Electronic Band Gap? Angewandte Chemie (2015) 54, pp. 7441-7445
  J. Liu, W. Zhou, J. Liu, I. Howard, G. Kilibarda, S. Schlabach, D. Coupry, M. Addicoat, S. Yoneda, Y. Tsutsui, T. Sakurai, S. Seki, Z. Wang, P. Lindemann, E. Redel, T. Heine, C. Wöll
  (See online at https://doi.org/10.1002/anie.201501862)
• Robust Two-Dimensional Topological Insulators in Methyl-Functionalized Bismuth, Antimony and Lead Bilayer Films. Nano Letters (2015) 15, pp. 1083-1089
  Y. Ma , Y. Dai , L. Kou , T. Frauenheim, T. Heine
  (See online at https://doi.org/10.1021/nl504037u)
• Transition metal chalcogenides: ultrathin inorganic materials with tunable electronic properties Accounts of Chemical Research (2015) 48, pp. 65-72
  T. Heine
  (See online at https://doi.org/10.1021/ar500277z)
• A single material logical junction based on twodimensional crystal PdS2. Advanced Materials (2016) 28, pp. 853-856
  M. Ghorbani-Asl, A. Kuc, P. Miró, T. Heine
  (See online at https://doi.org/10.1002/adma.201504274)
• Unraveling binding effects of Cobalt(II)- Sepulchrate with the Monooxygenase P450BM-3 Heme Domain using Molecular Dynamics Simulations. Journal of Chemical Theory and Computation (2016) 12, pp. 353-363
  R. Verma, D. Holtmann, U. Schwaneberg, D. Roccatano
  (See online at https://doi.org/10.1021/acs.jctc.5b00290)