Per Hyldgaard
Visar 98 publikationer
A Density Functional Theory for the Average Electron Energy
Stability of and conduction in single-walled Si2BN nanotubes
Hard and soft materials: Putting consistent van der Waals density functionals to work
VdW-DF-ahcx: A range-separated van der Waals density functional hybrid
BaZrO3 stability under pressure: The role of nonlocal exchange and correlation
Signatures of van der Waals binding: A coupling-constant scaling analysis
Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
First-principles study of the binding energy between nanostructures and its scaling with system size
Understanding noninvasive charge transfer doping of graphene: a comparative study
libvdwxc: a library for exchange-correlation functionals in the vdW-DF family
The vdW-DF Family of Non-Local Exchange-Correlation Functionals
Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations
Structural and excited-state properties of oligoacene crystals from first principles
van der Waals forces in density functional theory: a review of the vdW-DF method
Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks
Microscopic Origin of Thermal Conductivity Reduction in Disordered van der Waals Solids
Interpretation of van der Waals density functionals
Harris-type van der Waals density functional scheme
Van der Waals interactions in advanced materials, in memory of David C Langreth
Physisorption of nucleobases on graphene: a comparative van der Waals study
Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology
Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology
Waveguides for nitride based quantum cascade lasers
Polarization-balanced design of heterostructures: Application to AlN/GaN double-barrier structures
Do Two-Dimensional "Noble Gas Atoms" Produce Molecular Honeycombs at a Metal Surface?
Stacking and band structure of van der Waals bonded graphane multilayers
Van der Waals density functional calculations of binding in molecular crystals
Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics
Temperature stability of intersubband transitions in AlN/GaN quantum wells
Title: van der Waals density functional calculations of binding in molecular crystals
Structure and binding in crystals of cagelike molecules: Hexamine and platonic hydrocarbons
Effective elastic properties of a van der Waals molecular monolayer at a metal surface
Stacking and band structure of van der Waals bonded graphane multilayers
Waveguides for Nitride Based Quantum Cascade Lasers
Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory
A density functional for sparse matter
Density-functional theory of nonequilibrium tunneling
Band bending and quasi-2DEG in the metallized beta-SiC(001) surface
TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings
Potassium intercalation in graphite: A van der Waals density-functional study
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
Adsorption of methylamine on alpha-Al203(0001) and alpha-Cr203(0001)
Interactions in nanotube bundles: A first-principles investigation
Potassium intercalation in graphite: A van der Waals density functional theory study
Nature of Bond between SiC and Graphite
Adsorption of methylamine on α-Al203(0001) and α-Cr203(0001)
Phonon Knudsen Flow in nanostructured semiconductor systems
First stages of oxidation of the Si-rich 3C-SiC(001) surface
Van der Waals Density Functional Theory with Applications
Thermal transport in SiC nanostructures
Van der Waals interaction of parallel polymers and nanotubes
One-dimensional electron systems for anchoring growth of carbon nanostructures
Resonant transport in semiconductor thermal-barrier structures
Quantum wire behavior in a one-component metallic system: monatomic Cu chains on Cu(111)
Interactions Mediated by Surface State: From Pairs and Trios to Adchains and Ordered Overlayers
Quantum confinement in monatomic Cu chains on Cu(111)
Site determination and thermally assisted tunneling in homogeneous nucleation
Surface-state mediated three-adsorbate interactions: electronic nature and nanoscale consequences
Van der Waals Interactions of Parallel and Concentric Nanotubes
The van der Waals Interactions of Concentric Nanotubes
Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface
Van der Waals Density Functional for Layered Structures
Transport in robust fullerene-tube heterostructure transistor
The van der Waals Interactions of Concentric Nanotubes
Surface-state mediated three-adsorbate interactions,
Hydrogen dynamics in magnesium and graphite
Bridging between micro- and macroscales of materials by mesoscopic models
Density-functional calculation of van der Waals forces for free-electron-like surfaces
Density-functional bridge between surfaces and interfaces
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Visar 8 forskningsprojekt
Ett ramverk för fysikbaserad uppskattning av verktygsförslitning i skärande bearbetning
Modern, icke-lokal täthetsfunktionalteori for material
Kolbaserat höghastighet 3D GaN elektroniksystem
SYnaptic MOlecular NEtworks for Bio-inspired Information Processing (SYMONE)