Elsebeth Schröder

Biträdande professor vid Chalmers, Mikroteknologi och nanovetenskap (MC2), Kvantkomponentfysik

Visar 65 publikationer

2018

Signatures of van der Waals binding: A coupling-constant scaling analysis

Yang Jiao, Elsebeth Schröder, Per Hyldgaard
Physical Review B. Vol. 97 (8)
Artikel i vetenskaplig tidskrift
2018

Ab initio investigation of monoclinic phase stability and martensitic transformation in crystalline polyethylene

Par A. T. Olsson, Per Hyldgaard, Elsebeth Schröder et al
PHYSICAL REVIEW MATERIALS. Vol. 2 (7)
Artikel i vetenskaplig tidskrift
2018

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

Yang Jiao, Elsebeth Schröder, Per Hyldgaard
Journal of Chemical Physics. Vol. 148 (19)
Artikel i vetenskaplig tidskrift
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
Artikel i vetenskaplig tidskrift
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-
Kapitel i bok
2017

Methylbenzenes on graphene

O. Borck, Elsebeth Schröder
Surface Science. Vol. 664, p. 162-167
Artikel i vetenskaplig tidskrift
2016

Involving High School Students in Computational Physics University Research: Theory Calculations of Toluene Adsorbed on Graphene

Jonas Ericsson, Teodor Husmark, Christoffer Mathiesen et al
PLoS ONE. Vol. 11 (8), p. e0159168-
Artikel i vetenskaplig tidskrift
2016

Graphene oxide and adsorption of chloroform: A density functional study

Elena Kuisma, Fredrik Hansson, Benjamin Lindberg et al
Journal of Chemical Physics. Vol. 144 (18), p. Art. no. 184704-
Artikel i vetenskaplig tidskrift
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)
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
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)
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
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 -
Artikel i vetenskaplig tidskrift
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)
Artikel i vetenskaplig tidskrift
2013

Methanol Adsorption on Graphene

Elsebeth Schröder
Journal of Nanomaterials. Vol. 2013 (Art. no. 871706)
Artikel i vetenskaplig tidskrift
2012

A van der Waals density functional study of chloroform and other trihalomethanes on graphene

Joel Åkesson, Oskar Sundborg, Olof Wahlström et al
Journal of Chemical Physics. Vol. 137 (17), p. 174702-
Artikel i vetenskaplig tidskrift
2012

Desorption of n-alkanes from graphene: a van der Waals density functional study

Elisa Londero, Emma Karlson, Marcus Landahl et al
Journal of Physics Condensed Matter. Vol. 24 (42), p. 424212-
Artikel i vetenskaplig tidskrift
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 (42), p. 424210-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2011

A van der Waals density functional study of adenine on graphene: Single-molecular adsorption and overlayer binding

Kristian Berland, Svetla Chakarova Käck, VR Cooper et al
Journal of Physics Condensed Matter. Vol. 23, p. 135001-
Artikel i vetenskaplig tidskrift
2011

Vanadium pentoxide (V2O5): a van der Waals density functional study

Elisa Londero, Elsebeth Schröder
Computer Physics Communications. Vol. 182 (9), p. 1805-1809
Artikel i vetenskaplig tidskrift
2010

Role of van der Waals bonding in the layered oxide V2O5: First-principles density-functional calculations

Elisa Londero, Elsebeth Schröder
Physical Review B - Condensed Matter and Materials Physics. Vol. 82 (5), p. 054116-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2008

Stacking Interactions and the Twist of DNA

V.R. Cooper, Timo Thonhauser, Aaron Puzder et al
Journal of the American Chemical Society. Vol. 130, p. 1304-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2007

Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Physical Review B. Vol. 76 (10), p. 100201(R)-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2006

Interactions in nanotube bundles: A first-principles investigation

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Preprint
2006

Dimers of polycyclic aromatic hydrocarbons in density functional theory

Svetla Chakarova Käck, Jesper Kleis, Elsebeth Schröder
Preprint
2006

Adsorption of methanol and methoxy on the α-Cr2O3(0001) surface

Øyvind Borck, Elsebeth Schröder
Journal of Physics: Condensed Matter. Vol. 18 (48), p. 10751-
Artikel i vetenskaplig tidskrift
2006

Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite

Svetla Chakarova Käck, Elsebeth Schröder, Bengt Lundqvist et al
Physical Review Letters. Vol. 96 (14), p. 146107-
Artikel i vetenskaplig tidskrift
2006

Comment on "Attracted by Long-Range Electron Correlation: Adenine on Graphite"

Svetla Chakarova Käck, Elsebeth Schröder, Bengt Lundqvist et al
Rapport
2006

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

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

First-principles study of the adsorption of methanol at the alpha-Al2O3(0001) surface

Øyvind Borck, Elsebeth Schröder
J. Phys.: Condens. Matter. Vol. 18, p. 1-12
Artikel i vetenskaplig tidskrift
2006

Adsorption of phenol on graphite(0001) and α-Al2O3(0001): Nature of van der Waals bonds from first-principles calculations

Svetla Chakarova Käck, Øyvind Borck, Elsebeth Schröder et al
Physical Review B. Vol. 74, p. 155402-
Artikel i vetenskaplig tidskrift
2006

First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Preprint
2006

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

Øyvind Borck, Per Hyldgaard, Elsebeth Schröder
Preprint
2005

Van der Waals interaction of simple, parallel polymers

Jesper Kleis, Elsebeth Schröder
Journal of Chemical Physics. Vol. 122, p. 164902-
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2005

van der Waals interactions of polycyclic aromatic hydrocarbon dimers

Svetla Chakarova Käck, Elsebeth Schröder
Journal of Chemical Physics. Vol. 122 (5), p. 054102-
Artikel i vetenskaplig tidskrift
2005

van der Waals interactions of the benzene dimer: Towards treatment of polycyclic aromatic hydrocarbon dimers

Svetla Chakarova Käck, Elsebeth Schröder
Materials Science and Engineering C. Vol. 25, p. 787-
Artikel i vetenskaplig tidskrift
2005

Van der Waals interaction of parallel polymers and nanotubes

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Computational Materials Science. Vol. vol. 33, p. 192-
Artikel i vetenskaplig tidskrift
2005

Van der Waals density functional for general geometries (vol 92, art no 246401, 2004)

M. Dion, Henrik Rydberg, Elsebeth Schröder et al
PHYSICAL REVIEW LETTERS. Vol. 95, p. 109902-
Artikel i vetenskaplig tidskrift
2004

Van der Waals Density Functional for General Geometries

Max Dion, Henrik Rydberg, Elsebeth Schröder et al
Phys. Rev. Lett.. Vol. 92, p. 246401-
Artikel i vetenskaplig tidskrift
2004

O adsorption and incipient oxidation of the Mg(0001) surface

Elsebeth Schröder, R. Fasel, A. Kiejna
Physical Review B. Vol. 69, p. 115431-
Artikel i vetenskaplig tidskrift
2004

Mg(0001) Surface Oxidation: A Two-Dimensional Oxide Phase

Elsebeth Schröder, F. Fasel, A. Kiejna
Physical Review B. Vol. 69, p. 193405-
Artikel i vetenskaplig tidskrift
2003

Van der Waals Interactions of Parallel and Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Materials Science and Engineering C. Vol. 23, p. 721-
Artikel i vetenskaplig tidskrift
2003

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Surface Science. Vol. 532, p. 880-
Artikel i vetenskaplig tidskrift
2003

Adsorption of Methanol on Aluminum Oxide: A Density Functional Study

Øyvind Borck, Elsebeth Schröder
ATB-Metallurgie. Vol. 43, p. 342-
Paper i proceeding
2003

Theory for structure and bulk modulus determination

Eleni Ziambaras, Elsebeth Schröder
Physical Review B. Vol. 68, p. 064112-
Artikel i vetenskaplig tidskrift
2003

Van der Waals Density Functional for Layered Structures

Henrik Rydberg, Max Dion, Niclas Jacobson et al
Phys. Rev. Lett.. Vol. 91, p. 126402-
Artikel i vetenskaplig tidskrift
2003

Ultrathin Pd and Pt Films on W(211)

Jan Block, J.J. Kolodziej, J.E. Rowe et al
Thin Solid Films. Vol. 428, p. 47-
Artikel i vetenskaplig tidskrift
2002

Interaction effects in magnesium oxidation: A lattice-gas simulation

Elsebeth Schröder
Computational Materials Science. Vol. 24, p. 105-110
Artikel i vetenskaplig tidskrift
2002

Oxidation of Mg(0001): A combined Experimental and Theoretical Study

Elsebeth Schröder, Roman Fasel, Adam Kiejna
Proceedings of NANO-7/ECOSS-21
Konferensbidrag (offentliggjort, men ej förlagsutgivet)
2002

The van der Waals Interactions of Concentric Nanotubes

Elsebeth Schröder, Per Hyldgaard
Proceedings of NANO-7/ECOSS-21
Konferensbidrag (offentliggjort, men ej förlagsutgivet)
2002

Hydrogen dynamics in magnesium and graphite

Niclas Jacobson, Bengt Tegner, Elsebeth Schröder et al
Computational Materials Science. Vol. 24, p. 273-277
Artikel i vetenskaplig tidskrift
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-
Artikel i vetenskaplig tidskrift
2001

Density-functional bridge between surfaces and interfaces

Bengt Lundqvist, Alexander Bogicevic, Karin M. Carling et al
Surface Science. Vol. 493, p. 253-270
Artikel i vetenskaplig tidskrift
2000

Nematic liquid-crystal director configuration for general elastic coefficients

Elsebeth Schröder
Physical Review E. Vol. 62, p. 8830-
Artikel i vetenskaplig tidskrift
1999

Diffusion von Teilchen in turbulenten Oberflächenwellen

Elsebeth Schröder, Mogens T. Levinsen, Preben Alstrøm
C. Nowak, I. Wilke, U Wollmer (eds.) ``Kiss the Future! Physikerinnen stellen sich vor'', Tagungsband der Deutschen Physikerinnentagung 1998, Kirchlinteln: Hoho-Verlag Hoffmann und Hoyer, p. 171-175
Konferensbidrag (offentliggjort, men ej förlagsutgivet)

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Visar 3 forskningsprojekt

2015–2018

Föroreningspartiklars fysisorption och svaga kemisorption - atomskalig teori och beräkningar

Elsebeth Schröder Kvantkomponentfysik
Vetenskapsrådet (VR)

2012–2017

The Swedish Graphene Initiative

Mikael Fogelström Tillämpad kvantfysik
Floriana Lombardi Kvantkomponentfysik
Avgust Yurgens Kvantkomponentfysik
Herbert Zirath Mikrovågselektronik
Jan Stake Terahertz- och millimetervågsteknik
Elsebeth Schröder Kvantkomponentfysik
Jari Kinaret Kondenserade materiens teori
Sergey Kubatkin Kvantkomponentfysik
Tomas Löfwander Tillämpad kvantfysik
Eva Olsson Eva Olsson Group
Andreas Isacsson Kondenserade materiens teori
Niklas Rorsman Mikrovågselektronik
Knut och Alice Wallenbergs Stiftelse

2011–2013

Teoretiska metoder på atomär nivå för glesa och mjuka material

Elsebeth Schröder Kvantkomponentfysik
Vetenskapsrådet (VR)

Det kan finnas fler projekt där Elsebeth Schröder medverkar, men du måste vara inloggad som anställd på Chalmers för att kunna se dem.