Rune Christensen

Rune Christensen

Postdoc

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Fysikvej

Building 309, room 142

2800 Kgs. Lyngby

Home page

Request a vCard via e-mail.

Publications
Projects
Activities
Loading

Publications rss feed

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

 

Addressing uncertainty in atomistic machine learning

Peterson, Andrew A. ; Christensen, Rune ; Khorshidi, Alireza
in journal: Physical Chemistry Chemical Physics (ISSN: 1463-9076) (DOI: http://dx.doi.org/10.1039/c7cp00375g), vol: 2017, issue: 18, pages: 10978-10985, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1039/c7cp00375g

  PDF

Error Mitigation in Computational Design of Sustainable Energy Materials

Christensen, Rune ; Vegge, Tejs (Supervisor) ; Hansen, Heine Anton (Supervisor)
Department of Energy Conversion and Storage, Technical University of Denmark, (ISBN: 978-87-92986-58-0), pages: 210

Type: Ph.D. thesis

Status: Published     |    Year: 2017

2016
 

Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid

Yoo, J.S. ; Christensen, Rune ; Vegge, Tejs ; Nørskov, J.K. ; Studt, F.
in journal: ChemSusChem (Print) (ISSN: 1864-5631) (DOI: http://dx.doi.org/10.1002/cssc.201501197), vol: 9, pages: 358 – 363, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1002/cssc.201501197

 

Functional Independent Scaling Relation for ORR/OER Catalysts

Christensen, Rune ; Hansen, Heine Anton ; Dickens, Colin F. ; Nørskov, Jens K. ; Vegge, Tejs
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/acs.jpcc.6b09141), vol: 120, issue: 43, pages: 24910-24916, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jpcc.6b09141

  PDF

Modeling of transport phenomena in battery cathode materials

García Lastra, Juan Maria ; Mekonnen, Yedilfana Setarge ; Loftager, Simon ; Melander, Marko ; Mathiesen, Nikolai Rask ; Christensen, Rune ; Vegge, Tejs
Presented at:
67th Annual Meeting of the International Society of Electrochemistry, 2016, The Hague

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2016

2015
 

Improved Accuracy of Density Functional Theory Calculations for CO2 Reduction and Metal-Air Batteries

Christensen, Rune ; Hansen, Heine Anton ; Vegge, Tejs
in journal: Electrochemical Society. Meeting Abstracts (Online) (ISSN: 2151-2043), vol: MA2015-01, issue: 31, 2015

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2015

 

Reducing Systematic Errors in Oxide Species with Density Functional Theory Calculations

Christensen, Rune ; Hummelshøj, Jens S. ; Hansen, Heine Anton ; Vegge, Tejs
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/acs.jpcc.5b05968), vol: 119, pages: 17596−17601, 2015

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: http://dx.doi.org/10.1021/acs.jpcc.5b05968

  PDF

Identifying systematic DFT errors in catalytic reactions

Christensen, Rune ; Hansen, Heine Anton ; Vegge, Tejs
in journal: Catalysis Science & Technology (ISSN: 2044-4753) (DOI: http://dx.doi.org/10.1039/c5cy01332a), vol: 5, issue: 11, pages: 4946-4949, 2015

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: http://dx.doi.org/10.1039/c5cy01332a

2013
 

DFT+U study of polaronic conduction in Li2O2 and Li2CO3

García Lastra, Juan Maria ; Mýrdal, Jón Steinar Garðarsson ; Christensen, Rune ; Thygesen, Kristian Sommer ; Vegge, Tejs
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/jp3107809), vol: 117, issue: 11, pages: 5568-5577, 2013

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: http://dx.doi.org/10.1021/jp3107809


Show all