Per Hyldgaard

Professor at Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems Laboratory

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.

Source: chalmers.se

Projects

2011–2013

Role of van der Waals forces in condensed matter: nonempirical theory of nanomaterials and simple biomolecular systems

Per Hyldgaard Electronics Material and Systems Laboratory
Swedish Research Council (VR)

1 publication exists
2014–2019

Carbon Based High Speed 3D GaN Electronics System

Johan Liu Electronics Material and Systems Laboratory
Per Hyldgaard Electronics Material and Systems Laboratory
Jan Stake Terahertz and Millimetre Wave Laboratory
Andrei Vorobiev Terahertz and Millimetre Wave Laboratory
Swedish Foundation for Strategic Research (SSF)

2015–2018

Consistent-exchange van der Waals density functional studies of bonding, morphology changes, and optical response in molecular energy systems

Per Hyldgaard Electronics Material and Systems Laboratory
Swedish Research Council (VR)

2012–2015

SYnaptic MOlecular NEtworks for Bio-inspired Information Processing (SYMONE)

Göran Wendin Electronics Material and Systems Laboratory
Zoran Konkoli Electronics Material and Systems Laboratory
Per Hyldgaard Electronics Material and Systems Laboratory
European Commission (FP7)

2 publications exist
There might be more projects where Per Hyldgaard participates, but you have to be logged in as a Chalmers employee to see them.

Publications

2017

Ab initio and classical atomistic modelling of structure and defects in crystalline orthorhombic polyethylene: Twin boundaries, slip interfaces, and nature of barriers

P. A. T. Olsson, Elsebeth Schröder, Per Hyldgaard et al
Polymer. Vol. 121, p. 234-246
Scientific journal article - peer reviewed
2017

Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules

K. Berland, Yang Jiao, J. H. Lee et al
Journal of Chemical Physics. Vol. 146 (23), p. Article no. 234106
Scientific journal article - peer reviewed
2017

libvdwxc: a library for exchange-correlation functionals in the vdW-DF family

A. H. Larsen, Mikael Kuisma, Joakim Löfgren et al
Modelling and Simulation in Materials Science and Engineering. Vol. 25 (6)
Scientific journal article - peer reviewed
2017

Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals

Leili Gharaee, Paul Erhart, Per Hyldgaard et al
Physical Review B: covering condensed matter and materials physics. Vol. 95 (8)
Scientific journal article - peer reviewed
2016

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations

Mikael Kuisma, Angelica Lundin, Kasper Moth-Poulsen et al
ChemSusChem. Vol. 9 (14), p. 1786-1794
Scientific journal article - peer reviewed
2016

A Mechanism for Highly Efficient Electrochemical Bubbling Delamination of CVD-Grown Graphene from Metal Substrates

Lihui Liu, X. Liu, Zhaoyao Zhan et al
Advanced Materials Interfaces. Vol. 3 (8)
Scientific journal article - peer reviewed
2016

Structural and excited-state properties of oligoacene crystals from first principles

T. Rangel, Kristian Berland, S. Sharifzadeh et al
Physical Review B: covering condensed matter and materials physics. Vol. 93 (11)
Scientific journal article - peer reviewed
2016

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage

Mikael Kuisma, Angelica Lundin, Kasper Moth-Poulsen et al
Journal of Physical Chemistry C. Vol. 120 (7), p. 3635-3645
Scientific journal article - peer reviewed
2015

Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks

T. Thonhauser, S. Zuluaga, C. A. Arter et al
Physical Review Letters. Vol. 115 (13)
Scientific journal article - peer reviewed
2015

Microscopic Origin of Thermal Conductivity Reduction in Disordered van der Waals Solids

Paul Erhart, Per Hyldgaard, Daniel Lindroth et al
Chemistry of Materials. Vol. 27 (16), p. 5511-5518
Scientific journal article - peer reviewed
2015

van der Waals forces in density functional theory: a review of the vdW-DF method

Kristian Berland, Valentino R Cooper, Kyuho Lee et al
Reports on progress in physics. Vol. 78 (6), p. 066501
Scientific journal article - peer reviewed
2014

Interpretation of van der Waals density functionals

Per Hyldgaard, Kristian Berland, Elsebeth Schröder et al
Physical Review B. Vol. 90 (7), p. Art. no. 075148
Scientific journal article - peer reviewed
2014

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional

Kristian Berland, Per Hyldgaard,
Physical Review B. Condensed Matter and Materials Physics. Vol. 89 (3), p. art. no. 035412
Scientific journal article - peer reviewed
2014

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 et al
Journal of Chemical Physics. Vol. 140, p. 18A539
Scientific journal article - peer reviewed
2013

Harris-type van der Waals density functional scheme

Kristian Berland, Elisa Londero, Elsebeth Schröder et al
Physical Review B. Vol. 88 (4)
Scientific journal article - peer reviewed
2013

Analysis of van der Waals density functional components: Binding and corrugation of benzene and C-60 on boron nitride and graphene

Kristian Berland, Per Hyldgaard,
Physical Review B. Vol. 87 (20)
Scientific journal article - peer reviewed
2012

Van der Waals interactions in advanced materials, in memory of David C Langreth

Per Hyldgaard, T. S. Rahman,
Journal of Physics-Condensed Matter. Vol. 24 (42), p. Article Number: 420201
Scientific journal article - non peer reviewed
2012

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

Per Hyldgaard,
Journal of Physics-Condensed Matter. Vol. 24 (42), p. Article Number: 424219
Scientific journal article - peer reviewed
2012

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 et al
Journal of Physics: Condensed Matter. Vol. 24 (42), p. artikel nr 424213
Scientific journal article - peer reviewed
2012

Physisorption of nucleobases on graphene: a comparative van der Waals study

Duy Le, Abdelkader Kara, Elsebeth Schröder et al
Journal of Physics: Condensed Matter. Vol. 24, p. 424210
Scientific journal article - peer reviewed
2012

Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology

Tommy Ive, Kristian Berland, Martin Stattin et al
Japanese Journal of Applied Physics. Vol. 51 (1), p. Article Number: 01AG07
Scientific journal article - peer reviewed
2012

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

Kristian Berland, T. L. Einstein, Per Hyldgaard et al
Physical Review B. Vol. 85 (3)
Scientific journal article - peer reviewed
2011

Polarization-balanced design of heterostructures: Application to AlN/GaN double-barrier structures

Kristian Berland, Thorvald Andersson, Per Hyldgaard et al
Physical Review B. Vol. 84 (24)
Scientific journal article - peer reviewed
2011

Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology

Thorvald Andersson, Kristian Berland, Rashid Farivar et al
ISPlasma 2011, March 6-9, 2011 Nagoya, Japan
Conference poster
2011

Waveguides for nitride based quantum cascade lasers

Martin Stattin, Kristian Berland, Per Hyldgaard et al
physica status solidi (c). Vol. 8 (7-8), p. 2357–2359
Scientific journal article - peer reviewed
2011

Stacking and band structure of van der Waals bonded graphane multilayers

Jochen Rohrer, Per Hyldgaard,
Physical Review B. Vol. 83 (16)
Scientific journal article - peer reviewed
2011

Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics

Anders Bergvall, Kristian Berland, Per Hyldgaard et al
Physical Review B. Vol. 84 (15)
Scientific journal article - peer reviewed
2011

Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111)

Kuyho Lee, André K. Kelkkanen, Kristian Berland et al
Physical Review B. Vol. 84, p. 193408
Scientific journal article - peer reviewed
2011

Do Two-Dimensional "Noble Gas Atoms" Produce Molecular Honeycombs at a Metal Surface?

J. Wyrick, D. H. Kim, D. Z. Sun et al
Nano Letters. Vol. 11 (7), p. 2944-2948
Scientific journal article - peer reviewed
2011

Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth

Jochen Rohrer, Per Hyldgaard,
Computer Physics Communications. Vol. 182 (9), p. 1814-1818
Scientific journal article - peer reviewed
2011

Van der Waals density functional calculations of binding in molecular crystals

Kristian Berland, O. Borck, Per Hyldgaard et al
Computer Physics Communications. Vol. 182 (9), p. 1800-1804
Scientific journal article - peer reviewed
2010

Effective elastic properties of a van der Waals molecular monolayer at a metal surface

D. Z. Sun, D. H. Kim, D. Le et al
Physical Review B. Vol. 82 (20)
Scientific journal article - peer reviewed
2010

Waveguides for Nitride Based Quantum Cascade Lasers

Martin Stattin, Kristian Berland, Per Hyldgaard et al
International Workshop on Nitride Semiconductors (IWN2010), Tampa, Florida, U.S.A., September 19 – 24, 2010
Conference poster
2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Kristian Berland, Jochen Rohrer, A Kelkkanen et al
SNIC progress report 08/09. Swedish national infrastructure for computing.
Chapter in monograph, book
2010

Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide

Jochen Rohrer, Per Hyldgaard,
Journal of Physics: Condensed Matter. Vol. 22 (47), p. 472001
Scientific journal article - peer reviewed
2010

Title: van der Waals density functional calculations of binding in molecular crystals

Kristian Berland, Øyvind Borck, Per Hyldgaard et al
Preprint
2010

Temperature stability of intersubband transitions in AlN/GaN quantum wells

Kristian Berland, Martin Stattin, Rashid Farivar et al
Applied Physics Letters. Vol. 97 (4), p. 043507
Scientific journal article - peer reviewed
2010

Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory

Svetla D. Chakarova-Käck, Aleksandra Vojvodic, Jesper Kleis et al
New Journal of Physics. Vol. 12, p. Art. Nr. 013017
Scientific journal article - peer reviewed
2010

Ab initio thermodynamics of deposition growth: Surface terminations of TiC(111) and TiN(111) grown by chemical vapor deposition

Jochen Rohrer, Per Hyldgaard,
Physical Review B. Vol. 82 (4)
Scientific journal article - peer reviewed
2010

Structure and binding in crystals of cagelike molecules: Hexamine and platonic hydrocarbons

Kristian Berland, Per Hyldgaard,
Journal of Chemical Physics. Vol. 132 (13), p. (Published: April 7 2010) (Article Number: 134705)
Scientific journal article - peer reviewed
2010

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

Jochen Rohrer, Carlo Ruberto, Per Hyldgaard et al
Journal of Physics: Condensed Matter. Vol. 22 (1), p. 015004
Scientific journal article - peer reviewed
2009

A density functional for sparse matter

D. C. Langreth, Bengt I. Lundqvist, Svetla D. Chakarova-Käck et al
Journal of Physics - Condensed Matter. Vol. 21 (8), p. 084203
Scientific journal article - peer reviewed
2009

Rings sliding on a honeycomb network: Adsorption contours, interactions, and assembly of benzene on Cu(111)

Kristian Berland, T. L. Einstein, Per Hyldgaard et al
Physical Review B. Vol. 80 (15), p. 155431
Scientific journal article - peer reviewed
2008

Density-functional theory of nonequilibrium tunneling

Per Hyldgaard,
Physical Review B. Condensed Matter and Materials Physics. Vol. 78 (16), p. 165109
Scientific journal article - peer reviewed
2008

Band bending and quasi-2DEG in the metallized beta-SiC(001) surface

Riccardo Rurali, E. Wachowicz, Per Hyldgaard et al
Physica Status Solidi (RRL) - Rapid Research Letters. Vol. 2, p. 218
Scientific journal article - peer reviewed
2008

Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

Jesper Kleis, Elsebeth Schröder, Per Hyldgaard et al
Physical Review B. Condensed Matter and Materials Physics. Vol. 77 (20), p. 205422
Scientific journal article - peer reviewed
2008

Coarse-grained model for growth of α- and k-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations

Jochen Rohrer, Carlo Ruberto, Per Hyldgaard et al
Journal of Physics: Conference Series 100 (082010 )
Conference paper - peer reviewed
2007

Potassium intercalation in graphite: A van der Waals density-functional study

Eleni Ziambaras, Jesper Kleis, Elsebeth Schröder et al
Physical Review B . Vol. 76 (15), p. 155425
Scientific journal article - peer reviewed
2007

Adsorption of methylamine on alpha-Al203(0001) and alpha-Cr203(0001)

Øyvind Borck, Per Hyldgaard, Elsebeth Schröder et al
Physical Review B . Vol. 75 (3), p. 035403
Scientific journal article - peer reviewed
2007

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Timo Thonhauser, Valentino Cooper, Shen Li et al
Physical Review B. Vol. 76, p. 125112
Scientific journal article - peer reviewed
2007

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

Sead Canovic, Sakari Ruppi, Jochen Rohrer et al
Surface & Coatings Technology. Vol. 202 (3), p. 522-531
Scientific journal article - peer reviewed
2006

Adsorption of methylamine on α-Al203(0001) and α-Cr203(0001)

Øyvind Borck, Per Hyldgaard, Elsebeth Schröder et al
Preprint
2006

Nature of Bond between SiC and Graphite

Eleni Ziambaras, Carlo Ruberto, Bengt I. Lundqvist et al
Report
2006

Phonon Knudsen Flow in nanostructured semiconductor systems

Eleni Ziambaras, Per Hyldgaard,
Journal of Applied Physics. Vol. 99, p. 054303
Scientific journal article - peer reviewed
2006

Potassium intercalation in graphite: A van der Waals density functional theory study

Eleni Ziambaras, Jesper Kleis, Elsebeth Schröder et al
Report
2006

Interactions in nanotube bundles: A first-principles investigation

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder et al
Preprint
2005

Thermal transport in SiC nanostructures

Eleni Ziambaras, Per Hyldgaard,
Materials Science and Engineering . Vol. 25, p. 635
Scientific journal article - peer reviewed
2005

First stages of oxidation of the Si-rich 3C-SiC(001) surface

E. Wachowicz, R. Rurali, P. Ordejon et al
Computational Materials Science. Vol. 33, p. 13
Scientific journal article - peer reviewed
2005

One-dimensional electron systems for anchoring growth of carbon nanostructures

Per Hyldgaard, Niclas Jacobson, Carlo Ruberto et al
Computational Materials Science . Vol. 33, p. 356
Scientific journal article - peer reviewed
2005

Van der Waals Density Functional Theory with Applications

D. C. Langreth, Max Dion, Henrik Rydberg et al
International Journal of Quantum Chemistry. Vol. 101, p. 599
Scientific journal article - peer reviewed
2005

Van der Waals interaction of parallel polymers and nanotubes

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder et al
Computational Materials Science. Vol. vol. 33, p. 192
Scientific journal article - peer reviewed
2004

Interactions Mediated by Surface State: From Pairs and Trios to Adchains and Ordered Overlayers

Per Hyldgaard, T. L. Einstein,
Journal of Crystal Growth. Vol. 275, p. 1637
Scientific journal article - peer reviewed
2004

Quantum wire behavior in a one-component metallic system: monatomic Cu chains on Cu(111)

Stefan Folsch, Per Hyldgaard, R Koch et al
Physica E. Vol. 24, p. 111
Conference paper - peer reviewed
2004

Resonant transport in semiconductor thermal-barrier structures

Per Hyldgaard,
Physical Review B. Vol. 69, p. 193305
Scientific journal article - peer reviewed
2004

Quantum confinement in monatomic Cu chains on Cu(111)

Stefan Fölsch, Per Hyldgaard, R Koch et al
Physical Review Letters. Vol. 92, p. 056803
Scientific journal article - peer reviewed
2003

Site determination and thermally assisted tunneling in homogeneous nucleation

Jascha Repp, Gerhart Meyer, Karl-Heinz Rieder et al
Physical Review letters. Vol. 91, p. 206102
Scientific journal article - peer reviewed
2003

Surface-state mediated three-adsorbate interactions: electronic nature and nanoscale consequences

Per Hyldgaard, T.L. Einstein,
Surface Science. Vol. 532-535, p. 600-605
Scientific journal article - peer reviewed
2003

Surface-state mediated three-adsorbate interaction: exact and numerical results and simple asymptotic expression

Per Hyldgaard, Theodore L Einstein,
Applied Surface Science. Vol. 212-213, p. 856-860
Scientific journal article - peer reviewed
2003

Hard numbers on soft matter

Henrik Rydberg, Niclas Jacobson, Per Hyldgaard et al
SURFACE SCIENCE. Vol. 532, p. 606
Scientific journal article - peer reviewed
2003

Van der Waals Interactions of Parallel and Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard,
Materials Science and Engineering C. Vol. 23, p. 721
Scientific journal article - peer reviewed
2003

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard,
Surface Science. Vol. 532, p. 880
Scientific journal article - peer reviewed
2003

Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface

Behrooz Razaznejad, Carlo Ruberto, Per Hyldgaard et al
Physical Review Letters. Vol. 90 (23), p. 236803
Scientific journal article - peer reviewed
2003

Van der Waals Density Functional for Layered Structures

Henrik Rydberg, Max Dion, Niclas Jacobson et al
Phys. Rev. Lett.. Vol. 91, p. 126402
Scientific journal article - peer reviewed
2002

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard,
Proceedings of NANO-7/ECOSS-21
Conference paper - non peer reviewed
2002

Surface-state mediated three-adsorbate interactions,

Per Hyldgaard, T.L. Einstein,
Europhysics Letters. Vol. 59, p. 265
Scientific journal article - peer reviewed
2002

Transport in robust fullerene-tube heterostructure transistor

Per Hyldgaard, Bengt I. Lundqvist,
MATERIALS SCIENCE & ENGINEERING C-BIOMIMETIC AND SUPRAMOLECULAR SYSTEMS. Vol. 19, p. 445
Scientific journal article - peer reviewed
2002

Bridging between micro- and macroscales of materials by mesoscopic models

Bengt I. Lundqvist, Alexander Bogicevic, Sergey V. Dudiy et al
Computational Materials Science. Vol. 24, p. 1
Scientific journal article - peer reviewed
2002

Hydrogen dynamics in magnesium and graphite

Niclas Jacobson, Bengt Tegner, Elsebeth Schröder et al
Computational Materials Science. Vol. 24, p. 273-277
Scientific journal article - peer reviewed
2001

Density-functional calculation of van der Waals forces for free-electron-like surfaces

Erika Hult, Per Hyldgaard, J. Rossmeisl et al
PHYSICAL REVIEW B. Vol. 64 (19)
Scientific journal article - peer reviewed
2001

Density-functional bridge between surfaces and interfaces

Bengt I. Lundqvist, Alexander Bogicevic, Karin M. Carling et al
Surface Science. Vol. 493, p. 253-270
Scientific journal article - peer reviewed