Vegge T - Search Results

1

PerQueue: managing complex and dynamic workflows.

Sjølin BH, Hansen WS, Morin-Martinez AA, Petersen MH, Rieger LH, Vegge T, García-Lastra JM, Castelli IE. Sjølin BH, et al. Among authors: vegge t. Digit Discov. 2024 Aug 8;3(9):1832-1841. doi: 10.1039/d4dd00134f. eCollection 2024 Sep 11. Digit Discov. 2024. PMID: 39157759 Free PMC article.

2

Charge Localization in the Lithium Iron Phosphate Li3Fe2(PO4)3 at High Voltages in Lithium-Ion Batteries.

Younesi R, Christiansen A, Loftager S, García-Lastra JM, Vegge T, Norby P, Holtappels P. Younesi R, et al. Among authors: vegge t. ChemSusChem. 2015 Oct 12;8(19):3213-6. doi: 10.1002/cssc.201500752. Epub 2015 Sep 7. ChemSusChem. 2015. PMID: 26448525

3

Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study.

Fu Q, Colmenares Rausseo LC, Martinez U, Dahl PI, García Lastra JM, Vullum PE, Svenum IH, Vegge T. Fu Q, et al. Among authors: vegge t. ACS Appl Mater Interfaces. 2015 Dec 23;7(50):27782-95. doi: 10.1021/acsami.5b08966. Epub 2015 Dec 14. ACS Appl Mater Interfaces. 2015. PMID: 26615834

4

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

Melander M, Jónsson EÖ, Mortensen JJ, Vegge T, García Lastra JM. Melander M, et al. Among authors: vegge t. J Chem Theory Comput. 2016 Nov 8;12(11):5367-5378. doi: 10.1021/acs.jctc.6b00815. Epub 2016 Oct 27. J Chem Theory Comput. 2016. PMID: 27749068

5

A density functional theory study of the carbon-coating effects on lithium iron borate battery electrodes.

Loftager S, García-Lastra JM, Vegge T. Loftager S, et al. Among authors: vegge t. Phys Chem Chem Phys. 2017 Jan 18;19(3):2087-2094. doi: 10.1039/c6cp06312h. Phys Chem Chem Phys. 2017. PMID: 28045145

6

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

Melander M, Jónsson EÖ, Mortensen JJ, Vegge T, García Lastra JM. Melander M, et al. Among authors: vegge t. J Chem Theory Comput. 2018 Feb 13;14(2):1170. doi: 10.1021/acs.jctc.8b00053. Epub 2018 Jan 29. J Chem Theory Comput. 2018. PMID: 29377681 No abstract available.

7

Combined DFT and Differential Electrochemical Mass Spectrometry Investigation of the Effect of Dopants in Secondary Zinc-Air Batteries.

Lysgaard S, Christensen MK, Hansen HA, García Lastra JM, Norby P, Vegge T. Lysgaard S, et al. Among authors: vegge t. ChemSusChem. 2018 Jun 22;11(12):1933-1941. doi: 10.1002/cssc.201800225. Epub 2018 May 2. ChemSusChem. 2018. PMID: 29601151

8

Thermodynamic and Kinetic Limitations for Peroxide and Superoxide Formation in Na-O₂ Batteries.

Mekonnen YS, Christensen R, Garcia-Lastra JM, Vegge T. Mekonnen YS, et al. Among authors: vegge t. J Phys Chem Lett. 2018 Aug 2;9(15):4413-4419. doi: 10.1021/acs.jpclett.8b01790. Epub 2018 Jul 23. J Phys Chem Lett. 2018. PMID: 30016107

9

R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry.

Mathiesen NR, Jónsson H, Vegge T, García Lastra JM. Mathiesen NR, et al. Among authors: vegge t. J Chem Theory Comput. 2019 May 14;15(5):3215-3222. doi: 10.1021/acs.jctc.8b01229. Epub 2019 Apr 3. J Chem Theory Comput. 2019. PMID: 30892887

10

CLEASE: a versatile and user-friendly implementation of cluster expansion method.

Chang JH, Kleiven D, Melander M, Akola J, Garcia-Lastra JM, Vegge T. Chang JH, et al. Among authors: vegge t. J Phys Condens Matter. 2019 Aug 14;31(32):325901. doi: 10.1088/1361-648X/ab1bbc. Epub 2019 Apr 23. J Phys Condens Matter. 2019. PMID: 31013487

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