Per Hyldgaard
I am professor of theoretical physics for biomaterials and nanotechnology.
Funding presently comes from Vetenskapsrådet (VR), from the Chalmers e-Science Centre, and from the Chalmers Area of Advance - Materials Science.
Our group has long-term international collaborations with Professors Ludwig Bartels, U.C. Riverside, Theodore L. Einstein, U. Maryland, David C. Langreth (until his sad departure in spring of 2011), and Gerald D. Mahan, Penn State University.
I am coordinator for the Advanced Computing activities under the new Chalmers e-Science Centre. I was also responsible author for the evaluation of Chalmers e-Science interest and successful application for the 2010 creation of the Chalmers e-Science centre.
Elsebeth Schröder, Bengt I. Lundqvist, and myself are the main Chalmers contributors to the development of the new Rutgers-Chalmers vdW-DF.
Finally, I am main P.I. for grants for large-scale allocations of computing computing resources to the research groups of Professors Elsebeth Schröder and Bengt I. Lundqvist, and myself from the Swedish National Infrastructure for Computing (SNIC). vdW-DF development and applications constitute the main activities together with development of a first-principle thermodynamics account of, for example, growth.
Showing 101 publications
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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Showing 8 research projects
A framework for the physics-based estimation of tool wear in machining process (WEAR-FRAME)
Modern, icke-lokal täthetsfunktionalteori for material
Carbon Based High Speed 3D GaN Electronics System
SYnaptic MOlecular NEtworks for Bio-inspired Information Processing (SYMONE)