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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2017
 

The Atomic Simulation Environment - A Python library for working with atoms

Larsen, Ask Hjorth ; Mortensen, Jens Jørgen ; Blomqvist, Jakob ; Castelli, Ivano Eligio ; Christensen, Rune ; Dulak, Marcin ; Friis, Jesper ; Groves, Michael ; Hammer, Bjørk ; Hargus, Cory ; Hermes, Eric ; C. Jennings, Paul ; Jensen, Peter Bjerre ; Kermode, James ; Kitchin, John ; Kolsbjerg, Esben ; Kubal, Joseph ; Kaasbjerg, Kristen ; Lysgaard, Steen ; Maronsson, Jon Bergmann ; Maxson, Tristan ; Olsen, Thomas ; Pastewka, Lars ; Peterson, Andrew ; Rostgaard, Carsten ; Schiøtz, Jakob ; Schütt, Ole ; Strange, Mikkel ; Thygesen, Kristian Sommer ; Vegge, Tejs ; Vilhelmsen, Lasse ; Walter, Michael ; Zeng, Zhenhua ; Jacobsen, Karsten Wedel
in journal: Journal of Physics: Condensed Matter (ISSN: 0953-8984) (DOI: http://dx.doi.org/10.1088/1361-648X/aa680e), vol: 29, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1088/1361-648X/aa680e

 

Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

Dohn, A. O. ; Jónsson, E. Ö. ; Levi, Gianluca ; Mortensen, Jens Jørgen ; Lopez-Acevedo, O. ; Thygesen, Kristian Sommer ; Jacobsen, Karsten Wedel ; Ulstrup, Jens ; Henriksen, Niels Engholm ; Møller, Klaus Braagaard ; Jonsson, H.
in journal: Journal of Chemical Theory and Computation (ISSN: 1549-9618) (DOI: http://dx.doi.org/10.1021/acs.jctc.7b00621), 2017

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2017     |    DOI: http://dx.doi.org/10.1021/acs.jctc.7b00621

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 ; Winther, 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