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

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

Leili Gharaee, Paul Erhart, Per Hyldgaard
Physical Review B: covering condensed matter and materials physics. Vol. 95 (8)
Journal article
2017

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

A. H. Larsen, Mikael Juhani Kuisma, Joakim Löfgren et al
Modelling and Simulation in Materials Science and Engineering. Vol. 25 (6)
Journal article
2017

The vdW-DF Family of Non-Local Exchange-Correlation Functionals

Elsebeth Schröder, Valentino R Cooper, Kristian Berland et al
Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications, p. Chapter 8-
Chapter in monograph, book - peer reviewed
2017

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

Kristian Berland, Yang Jiao, J. H. Lee et al
Journal of Chemical Physics. Vol. 146 (23), p. Article no. 234106 -
Journal article
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)
Journal article
2016

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

Mikael Juhani Kuisma, Angelica Lundin, Kasper Moth-Poulsen et al
ChemSusChem. Vol. 9 (14), p. 1786-1794
Journal article
2016

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

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

Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks

T Thonhauser, S. Zuluaga, Calvin A. Arter et al
Physical Review Letters. Vol. 115 (13)
Journal article
2015

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

Paul Erhart, Per Hyldgaard, Daniel Lindroth
Chemistry of Materials. Vol. 27 (16), p. 5511-5518
Journal article
2014

Interpretation of van der Waals density functionals

Per Hyldgaard, Kristian Berland, Elsebeth Schröder
Physical Review B - Condensed Matter and Materials Physics. Vol. 90 (7), p. Art. no. 075148-
Journal article
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-
Journal article
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 (18), p. 18A539 -
Journal article
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 - Condensed Matter and Materials Physics. Vol. 87 (20)
Journal article
2013

Harris-type van der Waals density functional scheme

Kristian Berland, Elisa Londero, Elsebeth Schröder et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 88 (4)
Journal article
2012

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

Per Hyldgaard, T. S. Rahman
Journal of Logic and Computation. Vol. 24 (42), p. Article Number: 420201-
Magazine article
2012

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

Per Hyldgaard
Journal of Logic and Computation. Vol. 24 (42), p. Article Number: 424219 -
Journal article
2012

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

Duy Le, Abdelkader Kara, Elsebeth Schröder et al
Journal of Logic and Computation. Vol. 24 (42), p. 424210-
Journal article
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
Physical Review B - Condensed Matter and Materials Physics. Vol. 85 (3)
Journal article
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 Logic and Computation. Vol. 24 (42), p. artikel nr 424213-
Journal article
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 -
Journal article
2011

Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology

Thorvald Andersson, Kristian Berland, Rashid Farivar et al
Conference poster
2011

Waveguides for nitride based quantum cascade lasers

Martin Stattin, Kristian Berland, Per Hyldgaard et al
Physica Status Solidi (C) Current Topics in Solid State Physics. Vol. 8 (7-8), p. 2357-2359
Journal article
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
Journal article
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 Kelkkanen, Kristian Berland et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 84, p. 193408-
Journal article
2011

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

Kristian Berland, Thorvald Andersson, Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 84 (24)
Journal article
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
Journal article
2011

Stacking and band structure of van der Waals bonded graphane multilayers

Jochen Rohrer, Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 83 (16)
Journal article
2011

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

Anders Bergvall, Kristian Berland, Per Hyldgaard et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 84 (15)
Journal article
2011

Van der Waals density functional calculations of binding in molecular crystals

Kristian Berland, O. Borck, Per Hyldgaard
Computer Physics Communications. Vol. 182 (9), p. 1800-1804
Journal article
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-
Journal article
2010

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

Jochen Rohrer, Carlo Ruberto, Per Hyldgaard
Journal of Logic and Computation. Vol. 22 (1), p. 015004-
Journal article
2010

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

Kristian Berland, Øyvind Borck, Per Hyldgaard
Preprint
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)-
Journal article
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 - Condensed Matter and Materials Physics. Vol. 82 (20)
Journal article
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 Logic and Computation. Vol. 22 (47), p. 472001-
Journal article
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 - Condensed Matter and Materials Physics. Vol. 82 (4)
Journal article
2010

Waveguides for Nitride Based Quantum Cascade Lasers

Martin Stattin, Kristian Berland, Per Hyldgaard et al
Conference poster
2010

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

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

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

Kristian Berland, Jochen Rohrer, A Kelkkanen et al
Chapter in monograph, book - 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
Physical Review B - Condensed Matter and Materials Physics. Vol. 80 (15), p. 155431-
Journal article
2009

A density functional for sparse matter

D. C. Langreth, Bengt Lundqvist, Svetla Chakarova Käck et al
Journal of Physics Condensed Matter. Vol. 21 (8), p. 084203-
Journal article
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
Physical Review B - Condensed Matter and Materials Physics. Vol. 77 (20), p. 205422-
Journal article
2008

Density-functional theory of nonequilibrium tunneling

Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 78 (16), p. 165109-
Journal article
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
Journal of Physics: Conference Series 100 (082010)
Paper in proceedings
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-
Journal article
2007

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

Sead Canovic, Sakari Ruppi, Jochen Rohrer et al
Surface and Coatings Technology. Vol. 202 (3), p. 522-531
Journal article
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-
Journal article
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-
Journal article
2007

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

Øyvind Borck, Per Hyldgaard, Elsebeth Schröder
Physical Review B. Vol. 75 (3), p. 035403-
Journal article
2006

Interactions in nanotube bundles: A first-principles investigation

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Preprint
2006

Nature of Bond between SiC and Graphite

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

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

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

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

Øyvind Borck, Per Hyldgaard, Elsebeth Schröder
Preprint
2006

Phonon Knudsen Flow in nanostructured semiconductor systems

Eleni Ziambaras, Per Hyldgaard
Journal of Applied Physics. Vol. 99, p. 054303-
Journal article
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-
Journal article
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 (5), p. 599-
Journal article
2005

Thermal transport in SiC nanostructures

Eleni Ziambaras, Per Hyldgaard
Materials Science and Engineering. Vol. 25, p. 635-
Journal article
2005

Van der Waals interaction of parallel polymers and nanotubes

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Computational Materials Science. Vol. vol. 33, p. 192-
Journal article
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-
Journal article
2004

Resonant transport in semiconductor thermal-barrier structures

Per Hyldgaard
Physical Review B. Vol. 69, p. 193305-
Journal article
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-
Paper in proceedings
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-
Journal article
2004

Quantum confinement in monatomic Cu chains on Cu(111)

Stefan Fölsch, Per Hyldgaard, R Koch et al
Physical Review Letters. Vol. 92 (5), p. 056803-
Journal article
2003

Hard numbers on soft matter

Henrik Rydberg, Niclas Jacobson, Per Hyldgaard et al
SURFACE SCIENCE. Vol. 532, p. 606-
Journal article
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
Journal article
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-
Journal article
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
Journal article
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-
Journal article
2003

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Surface Science. Vol. 532, p. 880-
Journal article
2003

Van der Waals Interactions of Parallel and Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Materials Science and Engineering C. Vol. 23, p. 721-
Journal article
2003

Van der Waals Density Functional for Layered Structures

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

Transport in robust fullerene-tube heterostructure transistor

Per Hyldgaard, Bengt Lundqvist
MATERIALS SCIENCE & ENGINEERING C-BIOMIMETIC AND SUPRAMOLECULAR SYSTEMS. Vol. 19, p. 445-
Journal article
2002

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Conference contribution
2002

Surface-state mediated three-adsorbate interactions,

Per Hyldgaard, T.L. Einstein
Europhysics Letters. Vol. 59, p. 265-
Journal article
2002

Bridging between micro- and macroscales of materials by mesoscopic models

Bengt Lundqvist, Alexander Bogicevic, Sergey V. Dudiy et al
Computational Materials Science. Vol. 24, p. 1-
Journal article
2002

Hydrogen dynamics in magnesium and graphite

Niclas Jacobson, Bengt Tegner, Elsebeth Schröder et al
Computational Materials Science. Vol. 24, p. 273-277
Journal article
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)
Journal article
2001

Density-functional bridge between surfaces and interfaces

Bengt Lundqvist, Alexander Bogicevic, Karin M. Carling et al
Surface Science. Vol. 493, p. 253-270
Journal article