Jens Jørgen Mortensen

Jens Jørgen Mortensen

Computer Engineer

DTU PHYSICS
Department of Physics

Technical University of Denmark

Fysikvej

Building 307, room 229b

2800 Kgs. Lyngby

Ph.
Fax +45 45 93 23 99
E-mail jensj@fysik.dtu.dk
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2019
 

Efficient first principles simulation of electron scattering factors for transmission electron microscopy

Susi, Toma ; Madsen, Jacob ; Ludacka, Ursula ; Mortensen, Jens Jørgen ; Pennycook, Timothy J. ; Lee, Zhongbo ; Kotakoski, Jani ; Kaiser, Ute ; Meyer, Jannik C.
in: ULTRAMICROSCOPY, vol: 197, pages: 16-22

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ultramic.2018.11.002

2018
 

Correction to 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 of Chemical Theory and Computation, vol: 14, issue: 2, pages: 1170

Type: Comment/debate (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.jctc.8b00053

  PDF

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles

Dohn, Asmus Ougaard ; Selli, Daniele ; Fazio, Gianluca ; Ferraro, Lorenzo ; Mortensen, Jens Jørgen ; Civalleri, Bartolomeo ; Di Valentin, Cristiana
in: Molecules, vol: 23, issue: 11

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.3390/molecules23112958

2017
  PDF

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, J. J. ; Lopez-Acevedo, O. ; Thygesen, K. S. ; Jacobsen, K. W. ; Ulstrup, J. ; Henriksen, N. E. ; Møller, K. B. ; Jonsson, H.
in: Journal of Chemical Theory and Computation, vol: 13, issue: 12, pages: 6010–6022

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1021/acs.jctc.7b00621

  PDF

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 of Physics: Condensed Matter, vol: 29

Type: Journal article (Peer reviewed)

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

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 of Chemical Theory and Computation, vol: 12, issue: 11, pages: 5367-5378

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://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: Concurrency and Computation: Practice & Experience, vol: 27, issue: 1, pages: 69-93

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: https://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 J. ; Bech, Lone ; Holse, Christian ; Vallejo, Federico Calle ; Andersen, Kirsten ; Mortensen, Jens J. ; Jacobsen, Karsten W. ; Nielsen, Jane H.
in: The Journal of Physical Chemistry Part C, vol: 116, issue: 27, pages: 14350-14359

Type: Journal article (Peer reviewed)

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

2011
 

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 of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol: 115, issue: 48, pages: 14149-14160

Type: Journal article (Peer reviewed)

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