Jens Jørgen Mortensen

Jens Jørgen Mortensen

Computer Engineer

DTU PHYSICS
Department of Physics

Technical University of Denmark

Fysikvej

Building 307, room 218

2800 Kgs. Lyngby

Ph.
Fax +45 45 93 23 99
E-mail jensj@fysik.dtu.dk
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2016
 

Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method

Melander, Marko ; Jónsson, Elvar Örn ; Mortensen, Jens Jørgen ; Vegge, Tejs ; García Lastra, Juan Maria
in journal: Journal of Chemical Theory and Computation (ISSN: 1549-9618) (DOI: http://dx.doi.org/10.1021/acs.jctc.6b00815), vol: 12, issue: 11, pages: 5367-5378, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jctc.6b00815

2013
 

Design and performance characterization of electronic structure calculations on massively parallel supercomputers

Romero, N. A. ; Glinsvad, Christian ; Larsen, Ask Hjorth ; Enkovaara, J. ; Shende, S. ; Morozov, V. A. ; Mortensen, Jens Jørgen
in journal: Concurrency and Computation: Practice & Experience (ISSN: 1532-0626) (DOI: http://dx.doi.org/10.1002/cpe.3199), vol: 27, issue: 1, pages: 69-93, 2013

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: http://dx.doi.org/10.1002/cpe.3199

2012
 

Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps

Tison, Yann ; Nielsen, Kenneth ; Mowbray, Duncan ; Bech, Lone ; Holse, Christian ; Vallejo, Federico Calle ; Andersen, Kirsten Trøstrup ; Mortensen, Jens Jørgen ; Jacobsen, Karsten Wedel ; Nielsen, Jane Hvolbæk
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/jp302424g), vol: 116, issue: 27, pages: 14350-14359, 2012

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: http://dx.doi.org/10.1021/jp302424g

2011
 

Linear density response function in the projector augmented wave method

Yan, Jun ; Mortensen, Jens Jørgen ; Jacobsen, Karsten Wedel ; Thygesen, Kristian Sommer
in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.83.245122), vol: 83, issue: 24, pages: 245122, 2011

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1103/PhysRevB.83.245122

  PDF

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

Olsen, Thomas ; Yan, Jun ; Mortensen, Jens Jørgen ; Thygesen, Kristian Sommer
in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.107.156401), vol: 107, issue: 15, pages: 156401-1, 2011

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1103/PhysRevLett.107.156401

 

An implementation of core level spectroscopies in a real space Projector Augmented Wave density functional theory code

Ljungberg, M.P. ; Mortensen, Jens Jørgen ; Pettersson, L.G.M.
in journal: Journal of Electron Spectroscopy and Related Phenomena (ISSN: 0368-2048) (DOI: http://dx.doi.org/10.1016/j.elspec.2011.05.004), vol: 184, issue: 8-10, pages: 427-439, 2011

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1016/j.elspec.2011.05.004

 

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

Kleis, Jesper ; Greeley, Jeffrey Philip ; Romero, N. A. ; Morozov, V. A. ; Falsig, Hanne ; Larsen, Ask Hjorth ; Lu, Jianmin ; Mortensen, Jens Jørgen ; Dułak, M. ; Thygesen, Kristian Sommer ; Nørskov, Jens Kehlet ; Jacobsen, Karsten Wedel
in journal: Catalysis Letters (ISSN: 1011-372X) (DOI: http://dx.doi.org/10.1007/s10562-011-0632-0), vol: 141, issue: 8, pages: 1067-1071, 2011

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1007/s10562-011-0632-0

 

GPAW - massively parallel electronic structure calculations with Python-based software

Enkovaara, Jussi ; Romero, Nichols A. ; Shende, Sameer ; Mortensen, Jens Jørgen
in journal: Procedia Computer Science (ISSN: 1877-0509) (DOI: http://dx.doi.org/10.1016/j.procs.2011.04.003), vol: 4, pages: 17-25, 2011
Presented at:
International Conference on Computational Science 2011, 2011, Singapore

Type: Conference article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1016/j.procs.2011.04.003

 

Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like.

Møgelhøj, Andreas ; Kelkkanen, Kari André ; Wikfeldt, K Thor ; Schiøtz, Jakob ; Mortensen, Jens Jørgen ; Pettersson, Lars G M ; Lundqvist, Bengt ; Jacobsen, Karsten Wedel ; Nilsson, Anders ; Nørskov, Jens Kehlet
in journal: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical (ISSN: 1520-6106) (DOI: http://dx.doi.org/10.1021/jp2040345), vol: 115, issue: 48, pages: 14149-14160, 2011

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: http://dx.doi.org/10.1021/jp2040345

 

Finite-size effects in surface chemistry of gold nanoparticles

Kleis, Jesper ; Greeley, J. ; Romero, N. A. ; Morozov, V. A. ; Falsig, Hanne ; Larsen, Ask Hjorth ; Lu, Jianmin ; Mortensen, Jens Jørgen ; Dulak, Marcin ; Thygesen, Kristian Sommer ; Norskov, J. K.
in journal: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (ISSN: 0065-7727), vol: 242, pages: -, 2011
Presented at:
242nd National Meeting of the American-Chemical-Society (ACS), 2011, Denver, CO

Type: Conference article (Peer reviewed)

Status: Published     |    Year: 2011