Tejs Vegge

Tejs Vegge

Professor, Head of Section

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Anker Engelunds Vej

Building 301, room 113

2800 Kgs. Lyngby

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2019
 

CLEASE: Implementation of cluster expansion method in atomic simulation environment package

García Lastra, Juan Maria ; Chang, Jin ; Vegge, Tejs
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257
Presented at:
257th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

 

Exploiting symmetry to speed up symmetric nudge elastic band calculations

García Lastra, Juan Maria ; Mathiesen, Nicolai Rask ; Vegge, Tejs
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257
Presented at:
257th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

2018
 

Computational design of nanoalloy catalysts from DFT, genetic algorithms and machine learning

Vegge, Tejs ; Jennings, Paul ; Bligaard , Thomas ; Hansen, Heine
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 253
Presented at:
253rd ACS National Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2018

 

Identification of systematic DFT-errors and uncertainty estimation in catalyst design using machine learning

Vegge, Tejs ; Christensen, Rune ; Dickens, Colin ; Hansen, Heine
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 255
Presented at:
255th ACS National Meeting & Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2018

2015
 

Identifying Activity Descriptors for CO2 Electro-Reduction to Methanol on Rutile (110) Surfaces

Bhowmik, Arghya ; Hansen, Heine Anton ; Vegge, Tejs
in: Electrochemical Society. Meeting Abstracts (Online), vol: MA2015-01, issue: 32

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2015

 

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

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

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2015

2013
 

Chemical stability of DMSO and ACN solvents in contact with Li2O2

Younesi, Reza ; Norby, Poul ; Vegge, Tejs
in: Electrochemical Society. Meeting Abstracts (Online), vol: MA2013-02, issue: 9
Presented at:
224th Electrochemical Society Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2013

 

Combined DFT and Dems Study On the Role of CO2 Poisoning On the Electronic Conduction and Overpotentials in Li-Air Batteries

Vegge, Tejs ; García Lastra, Juan Maria ; Højberg, Jonathan ; Younesi, Reza ; Mekonnen, Yedilfana Setarge ; Mýrdal, Jón Steinar Garðarsson ; Knudsen, Kristian Bastholm ; Norby, Poul
in: Electrochemical Society. Meeting Abstracts (Online), issue: 9, pages: 412-412
Presented at:
224th Electrochemical Society Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2013

  PDF

Computational screening of mixed metal halide ammines

Jensen, Peter Bjerre ; Lysgaard, Steen ; Quaade, Ulrich ; Vegge, Tejs
in: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol: 245
Presented at:
245th ACS National Meeting & Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2013

 

DFT Study On Effects of CO2 Contamination in Non-Aqueous Li-Air Batteries

Mekonnen, Yedilfana Setarge ; Mýrdal, Jón Steinar Garðarsson ; Vegge, Tejs
in: Electrochemical Society. Meeting Abstracts (Online), vol: MA2013-02, issue: 8, pages: 20591-20591
Presented at:
224th Electrochemical Society Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2013