1. Alouani M: "Spin crossover in a single Fe(phen)2 (NCS)2 molecule adsorbed onto metallic substrates: An ab initio calculation"
2. Antonov D, Bester G, Wrachtrup J: "Investigations on optical properties of the nitrogen-vancancy centre"
3. Antonov VN, Bekenov LV, Mazur DV, Jepsen O:
"X-ray magnetic dichroism in the (Zn,Co)O diluted magnetic semiconductors from first principle calculations"
4. Antropov VP, Katsnelson MI, van Schilfgaarde M: "Consistent theory of magnetism and superconductivity of iron pnictides"
5. Biermann S: "Long-range Coulomb interactions and dynamical screening in correlated materials: a GW+DMFT perspective"
6. Bose S.K, Liu Y, Kudrnovský J: "Ferromagnetism and half-metallicity of some 3- and 4-d transition metal alloys"
7. Burkhardt A: "More than 20 years of electronic structure computation: Hard- and software evolution and sometimes revolution)
from the early nineties to today"
8. Chioncel L: "Electronic correlations in magnetic heterostructures"
9. Das GP, Abdul Wasey AHM: "Interface induced electronic properties of epitaxial Ag/Si(111) heterojunctions"
10. Dasgupta I: "Electronic structure and magnetism in low dimensional and cluster assembled solids"
11. De Raychaudhury M: "Orbital fluctuation induced rich electronic properties in transition metal oxides"
12. Drchal V, Kudrnovský J: "Effective magnetic Hamiltonians"
13. Elfimov I, Haverkort M, Sawatzky G: "Electronic structure of randomly substituted solids using DFT methods"
14. Eyert V: "VO2 and Friends: A Novel View from Band Theory"
15. Fyta M: "Dopants and defects in diamane films: structural details and electronic structure"
16. Gryaznov D, Kotomin EA, Bussmann-Holder A, Maier J:
"A comparative ab initio thermodynamic study of oxygen vacancies in oxide perovskites: role of phonons"
17. Guo-Qiang L: "Competition between spin-orbit coupling and magnetic exchange splitting in Ca2RuO4"
18. Haag M, Illg C, Fähnle M: "Construction of transition matrix elements for the scattering of crystal electrons at magnons"
19. Habermeier H-U, Yordanov P: "Thermoelectric properties of cobaltite thin films – From Basics to applications"
20. Hansmann P, Ayral T, Vaugier L, Werner P, Biermann S: "Long-range Coulomb interactions in surface systems:
a first principles description within self-consistently combined GW and dynamical mean field theory"
21. Held K, Andersen OK, Assmann E, Blaha P, Hansmann P, Khaliullin G, Laskowski R, Okamoto S, Sangiovanni G, Toschi A, Toth A,
Yang X, Zhong Z: "Oxide heterostructures: from superconductivity to solar cells"
22. Hott R, Heid R, Bohnen K-P, Weber F, Rosenkranz S, Castellan J-P, Osborn R, Egami T, Said A, Reznik D:
"Phonon Softening in the CDW Systems NbSe2 and TiSe2"
23. Houari A, Eyert V, Matar SF: "Semiconducting (Half-Metallic) Ferromagnetism in Mn(Fe) Substituted Pt and Pd Nitrides"
24. Janson O, Rousochatzakis I, Tsirlin AA, Rößler UK, van den Brink J, Rosner H:
"Microscopic modeling of the S=1/2 Heisenberg ferrimagnet Cu2OSeO3"
25. Jeschke HO, Ferber J, Valentí R: "Effects of correlations on the Fermi surface topology of LaFePO, LiFeP and LiFeAs"
26. Kanhere DG: "Thermodynamics of free, supported and impurity doped clusters"
27. Karlsson K, Aryasetiawan F, Jepsen O:
"Method for calculating the electronic structure of correlated materials from a truly first-principles LDA+U scheme"
28. Karmakar D: "Cu-based spin-1/2 spin-gap tetramer and trimer system: new generation materials for quantum computation"
29. Khaliullin G: "Spin-state crossover model for the magnetism of iron pnictides"
30. Köhler J, Lee C, Whangbo MH: "Density functional study of Pt metal, LiPt2, LiPt and Li2Pt"
31. Kortus J, Bahmann S, Weissbach T: "Symmetry and electronic structure study of a predicted hybrid graphene-diamond like carbon phase"
32. Kosak R, Blaha P, Parkinson GS, Novotny Z, Diebold U: "Adsorption of Pd and Au over Fe3O4(001) surface"
33. Kotomin E, Mastrikov YuA, Merkle R, Maier J:
"A comparative analysis of oxygen vacancy diffusion in LSCF and BSCF perovskite solid solutions: ab initio modeling"
34. Kremer RK, Cardona M: "Temperature dependence of the electronic gaps of semiconductors"
35. Kudrnovský J: "Spin-disorder resistivity of ferromagnetic metals: the disordered local moment approach"
36. Kühne TD, Calcavecchia F: "A Trial Wave Function for Electrons in Molecular and Atomic Hydrogen"
37. Kukusta D, Antonov V: "Intrinsic magnetic properties of doped Ce2Co17 alloys"
38. Lambrecht WRL, Huang L-y: "Electronic structure and phonons in halide perovskites, CsSnX3, with X = Cl, Br, I"
39. Lechermann F, Boehnke L, Grieger D: "Formation of orbital-selective electron states in LaTiO3/SrTiO3 superlattices"
40. Maintz S, Deringer VL, Tchougréeff AL, Dronskowski R: "Chemical Analysis of plane-wave PAW calculations using projections to a localized basis"
41. Marmodoro A, Odashima MM, Buczek P, Ernst A, Sandratskii L: "Chirality dependent magnon lifetime in a compensated half-metallic ferrimagnet"
42. Methfessel M: "Innovative Wake-up System for Wireless Sensor Nodes"
43. Nohara Y, Andersen OK: "A self-consistent full-potential NMTO method and the code"
44. Oguchi T, Nagasako, N: "Stress-tensor Calculations in the All-electron Full-potential Linearized Augmented Plane Wave method"
45. Ortenzi L, Mazin II, Blaha P, Boeri L: "Accounting for spin fluctuations beyond LSDA in the density functional theory"
46. Paxton T, Lozovoi S, Sheppard T, Pashov D, Kohanoff J: "Tight binding simulations for solvent mixtures and chemical reactions"
47. Pentcheva R: "Confinement induced metal-to-insulator transition in (001) and (111) nickelate superlattices"
48. Petrilli H, Igarashi RN, Bezerra Neto MM, Klautau AB: "Magnetic behavior of FexCo1-x nanochains on the Pt(111) surface"
49. Postnikov A, Mortazavi Amiri NB: "Lattice vibrations in mixed semiconductors"
50. Poteryaev A: "Rotationally invariant exchange interaction: The case of paramagnetic metals"
51. Ramasubramanian S, Munawar Basha S, Kumar J, Rajagopalan M:
"An ab-initio investigations on the magnetic properties of (Co, N) doped ZnO and (Co, C) doped GaN"
52. Ravindran P, Vidya R, Fjellvåg H: "Modelling of Multiferroics from first principle calculations"
53. Rosner H, Schmitt M, Gumeniuk R, Trapananti A, Aquilanti G, Strohm C, Meier K, Schwarz U, Hanfland M, Schnelle W, Leithe-Jasper A:
"Tuning the Eu valence in EuPd3Bx: pressure versus valence electron count – a combined computational and experimental study"
54. Sangiovanni G: "Local and non-local correlation effects in nanoscopic systems"
55. Schickling T, Boeri L: "Band antiferromagnetism in a two-band model for iron pnictides"
56. Shrivastava A, Khandpekar DrMM: "Electronic structure study of Fe-B alloy system"
57. Sivaraman G, Fyta M: "Probing the interaction of DNA nucleobases with diamondoids through atomistic simulations"
58. Sob M, Všianská M, Vémolova H: "New Materials for Spintronics by Grain Boundary Engineering"
59. Subedi A: "Electron-phonon superconductivity and charge density wave instability in the layered titanium-based pnictide BaTi2Sb2O"
60. Sundareswari M, Rajagopalan M: "Ductile/brittle study of space craft materials by ab – initio electronic structure calculation"
61. Syassen K, Efthimiopoulos I, Loa I, Karmakar S, Wang X, Hanfland M: "Phase transitions of LaTiO3 under pressure"
62. Van Schilfgaarde M: "NMTO-like Basis Sets in a Full-Potential Context"
63. Vidya R, Ravindran P, Fjellvåg H: "Density functional studies on defects in semiconductors"
64. Vitos L: "From exact muffin-tin orbitals method to modern computational alloy theory"
65. Weber W, Schickling T, Gebhard F, Bünemann J, Boeri L, Andersen OK: "Gutzwiller Theory of Band Magnetsim in LaOFeAs"
66. Yang X, Su H: "Electronic reconstruction and surface two dimensional electron gas in the polarized heterostructure
with hole doped single copper – oxygen plane"
67. Yaresko A: "What causes an energy barrier between (π,0) and (0,π) magnetic orders in Fe pnictides"
68. Zwierzycki M: "Transport properties of rippled graphene"
69. Dong Y, Springborg M, Warnke I: "Structural and thermodynamic properties of Au2-58 clusters"
The posters are ordered alphabetically after the name of the presenting author, the first in this list.
Participants in the symposium are printed in bold.
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*updated June 4, 2013