Publications (36)
An analysis of van der Waals density functional components: Binding and corrugation of benzene and C60 on boron nitride and graphene
Kristian Berland, Per Hyldgaard
Thermal transport in SiC nanostructures
Eleni Ziambaras, Per Hyldgaard
Density-functional theory of nonequilibrium tunneling
Per Hyldgaard
Van der Waals interactions of parallel and concentric nanotubes
Elsebeth Schroder, Per Hyldgaard
Benchmarking van der Waals Density Functionals with Experimental Data: Potential Energy Curves for H2 Molecules on Cu(111), (100), and (110) Surfaces
Kyuho Lee, Kristian Berland, Mina Yoon +4
Stacking and band structure of van der Waals bonded graphane multilayers
Jochen Rohrer, Per Hyldgaard
Ab initio structure modeling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina
Jochen Rohrer, Carlo Ruberto, Per Hyldgaard
Temperature stability of intersubband transitions in AlN/GaN quantum wells
Kristian Berland, Martin Stattin, Rashid Farivar +5
A van der Waals density functional mapping of attraction in DNA dimers
Elisa Londero, Per Hyldgaard, Elsebeth Schroder
Phonon Knudsen flow in nanostructured semiconductor systems
Eleni Ziambaras, Per Hyldgaard
Interpretation of van der Waals density functionals
Per Hyldgaard, Kristian Berland, Elsebeth Schröder
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
Kristian Berland, Calvin A. Arter, Valentino R. Cooper +5
Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results
Jesper Kleis, Elsebeth Schroder, Per Hyldgaard
van der Waals forces in density functional theory: The vdW-DF method
Kristian Berland, Valentino R. Cooper, Kyuho Lee +4
Potassium intercalation in graphite: A van der Waals density-functional study
Eleni Ziambaras, Jesper Kleis, Elsebeth Schroder +1
van der Waals density functional calculations of binding in molecular crystals
Kristian Berland, Oyvind Borck, Per Hyldgaard
Evaluation of New Density Functional with Account of van der Waals Forces by Use of Experimental H2 Physisorption Data on Cu(111)
Kyuho Lee, André K Kelkkanen, Kristian Berland +5
Surface assembly and ultrafast operation of all-nanoscale resonant-tunneling transistors
Per Hyldgaard
Structural and excited-state properties of oligoacene crystals from first principles
Tonatiuh Rangel, Kristian Berland, Sahar Sharifzadeh +5
Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density-functional formulation, and nature of steady-state forces
Per Hyldgaard
Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth
Jochen Rohrer, Per Hyldgaard
An exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
Kristian Berland, Per Hyldgaard
Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Yang Jiao, Elsebeth Schröder, Per Hyldgaard
Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation
Jochen Rohrer, Eleni Ziambaras, Per Hyldgaard
Signatures of van der Waals binding: a coupling-constant scaling analysis
Yang Jiao, Elsebeth Schröder, Per Hyldgaard
Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide
Jochen Rohrer, Per Hyldgaard
van der Waals interaction of parallel polymers and nanotubes
Jesper Kleis, Per Hyldgaard, Elsebeth Schroder
Structure and binding in crystals of cage-like molecules: hexamine and platonic hydrocarbons
Kristian Berland, Per Hyldgaard
Interactions Mediated by Surface States: From Pairs and Trios to Adchains and Ordered Overlayers
Per Hyldgaard, T. L. Einstein
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
T. Thonhauser, Valentino R. Cooper, Shen Li +3
Energy scaling law for nanostructured materials
Jianmin Tao, Yang Jiao, Yuxiang Mo +4
Site determination and thermally assisted tunneling in homogenous nucleation
Jascha Repp, Gerhard Meyer, Karl-Heinz Rieder +1
Polarization-balanced design of AlN/GaN heterostructures: Application to double-barrier structures
Kristian Berland, Thorvald G Andersson, Per Hyldgaard
Ab-initio thermodynamics of deposition growth: surface terminations of CVD titanium carbide and nitride
Jochen Rohrer, Per Hyldgaard
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Kristian Berland, Yang Jiao, Jung-Hoon Lee +3
Zero Frequency Current Noise for the Double Tunnel Junction Coulomb Blockade
Selman Hershfield, John H. Davies, Per Hyldgaard +2