Forschungsbereich Theoretische Chemie

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Organization Name (de) Name der Organisation (de)
E165-03 - Forschungsbereich Theoretische Chemie
 
Code Kennzahl
E165-03
 
Type of Organization Organisationstyp
Research Division
Parent OrgUnit Übergeordnete Organisation
 
Active Aktiv
 

SubOrgUnits

Results 1-2 of 2 (Search time: 0.002 seconds).

NameCountryRorId
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k

OrgUnit's Publications


Results 181-200 of 601 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
181Puchberger, S ; Soprunyuk, V ; Schranz, W ; Tröster, Andreas ; Vives, E ; Salje, Edgar Avalanche critical exponents in nanoporous systems under compressionPräsentation Presentation2016
182Tröster, Andreas High Precision MC/RG Study of Elastic Fluctuations in Solid MembranesPräsentation Presentation2016
183Madsen, Georg New routes to thermoelectric half-Heusler compoundsPräsentation Presentation2016
184Schwarz, Karlheinz Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) methodPräsentation Presentation2016
185Blaha, Peter Theoretical Spectroscopy on FullerenesPräsentation Presentation2016
186Blaha, Peter Calculations of NMR shifts in insulating and metallic solidsPräsentation Presentation2016
187Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter DFT study of water adsorption on mixed (Mg,Ca)-Oxide surfacesPräsentation Presentation2016
188Bichler, Magdalena ; Blaha, Peter Structure optimization of 2H-MoSe₂ and 1T-MoSe₂Präsentation Presentation2016
189Ruh, Thomas Evaluating the scaling behaviour of WIEN2kPräsentation Presentation2016
190Blaha, Peter A common energy zero for total energiesPräsentation Presentation2016
191Blaha, Peter Wavefuctions and densities in WIEN2kPräsentation Presentation2016
192Bichler, Magdalena DFT study of the (012) surface of hematitePräsentation Presentation2016
193Ehsan, Sohaib Theoretical Study of the structural, elastic, electronic properties and phonon calculations in cubic and tetragonal phases of RbCaF₃Präsentation Presentation2016
194Blaha, Peter DFT simulations of surfaces, interfaces and multilayersPräsentation Presentation2016
195Schwarz, Karlheinz Density functional theory: from Walter Kohn to simulations of solids using Wien2kPräsentation Presentation2016
196Ruh, Thomas Optimizing the Performance of WIEN2kPräsentation Presentation2016
197Bichler, Magdalena DFT-study of the hematite (012) surfacePräsentation Presentation2016
198Ruh, Thomas ; Blaha, Peter Evaluating Eigensolver Schemes within the Density Functional Theory Package WIEN2kPräsentation Presentation2016
199Ruh, Thomas Performance of Eigensolver Schemes used within the DFT package WIEN2kPräsentation Presentation2016
200Jakub, Zdenek ; Kraushofer, F. ; Bichler, M. ; Setvin, Martin ; Hulva, Jan ; Schmid, Michael ; Diebold, Ulrike ; Blaha, Peter ; Parkinson, Gareth S. Atomic scale studies of the Hematite (012) surfacePräsentation Presentation2016