Per Hyldgaard
Visar 101 publikationer
Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases
Polyvinyl fluoride: Predicting polarization in a complex soft matter system
A Density Functional Theory for the Average Electron Energy
VdW-DF-ahcx: A range-separated van der Waals density functional hybrid
Hard and soft materials: Putting consistent van der Waals density functionals to work
Stability of and conduction in single-walled Si2BN nanotubes
BaZrO3 stability under pressure: The role of nonlocal exchange and correlation
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
Signatures of van der Waals binding: A coupling-constant scaling analysis
libvdwxc: a library for exchange-correlation functionals in the vdW-DF family
The vdW-DF Family of Non-Local Exchange-Correlation Functionals
Structural and excited-state properties of oligoacene crystals from first principles
Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations
Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks
van der Waals forces in density functional theory: a review of the vdW-DF method
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
Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology
Physisorption of nucleobases on graphene: a comparative van der Waals study
Waveguides for nitride based quantum cascade lasers
Van der Waals density functional calculations of binding in molecular crystals
Polarization-balanced design of heterostructures: Application to AlN/GaN double-barrier structures
Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics
Do Two-Dimensional "Noble Gas Atoms" Produce Molecular Honeycombs at a Metal Surface?
Stacking and band structure of van der Waals bonded graphane multilayers
Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology
Waveguides for Nitride Based Quantum Cascade Lasers
Title: van der Waals density functional calculations of binding in molecular crystals
Temperature stability of intersubband transitions in AlN/GaN quantum wells
Structure and binding in crystals of cagelike molecules: Hexamine and platonic hydrocarbons
Stacking and band structure of van der Waals bonded graphane multilayers
Effective elastic properties of a van der Waals molecular monolayer at a metal surface
Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory
A density functional for sparse matter
Band bending and quasi-2DEG in the metallized beta-SiC(001) surface
Density-functional theory of nonequilibrium tunneling
Potassium intercalation in graphite: A van der Waals density-functional study
Adsorption of methylamine on alpha-Al203(0001) and alpha-Cr203(0001)
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings
Nature of Bond between SiC and Graphite
Interactions in nanotube bundles: A first-principles investigation
Potassium intercalation in graphite: A van der Waals density functional theory study
Phonon Knudsen Flow in nanostructured semiconductor systems
Adsorption of methylamine on α-Al203(0001) and α-Cr203(0001)
Thermal transport in SiC nanostructures
First stages of oxidation of the Si-rich 3C-SiC(001) surface
Van der Waals interaction of parallel polymers and nanotubes
One-dimensional electron systems for anchoring growth of carbon nanostructures
Van der Waals Density Functional Theory with Applications
Interactions Mediated by Surface State: From Pairs and Trios to Adchains and Ordered Overlayers
Quantum wire behavior in a one-component metallic system: monatomic Cu chains on Cu(111)
Resonant transport in semiconductor thermal-barrier structures
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 Density Functional for Layered Structures
Van der Waals Interactions of Parallel and Concentric Nanotubes
Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface
The van der Waals Interactions of Concentric Nanotubes
Surface-state mediated three-adsorbate interactions,
Hydrogen dynamics in magnesium and graphite
Transport in robust fullerene-tube heterostructure transistor
The van der Waals Interactions of Concentric Nanotubes
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)