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Autonomous Discovery of Materials for Intercalation Electrodes

Felix Tim Bölle, Nicolai Rask Mathiesen, Alexander Juul Nielsen, Tejs Vegge, Juan Maria García Lastra, Ivano E. Castelli

Version 1 posted 16 October 2019

714

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2

Citations

Energy

Working Paper

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, Tejs Vegge, Arghya Bhowmik, Juan Maria García Lastra

Version 2 posted 08 March 2021

500

Downloads

Materials Science

Working Paper

Strain Induced Tunability of the Electronic Properties of SrTiO3 Interfaces

Zhenyun Lan, Tejs Vegge, Ivano E. Castelli

Version 1 posted 20 November 2019

607

Downloads

Catalysis

Working Paper

Low-temperature ammonia synthesis on electron-rich [RuH6] catalytic centers

Jaysree Pan, Qianru Wang, Jianping Guo, Heine Anton Hansen, Ping Chen, Tejs Vegge

Version 1 posted 17 September 2021

382

Downloads

Theoretical and Computational Chemistry

Working Paper

Molecular Engineering Strategies for Symmetric Aqueous Organic Redox Flow Batteries

Rocco Peter Fornari, Murat Mesta, Johan Hjelm, Tejs Vegge, Piotr de Silva

Version 1 posted 20 November 2019

849

Downloads

Catalysis

Working Paper

Graph neural network-accelerated multitasking genetic algorithm for optimizing PdxTi1–xHy surface under various CO2 reduction reaction conditions

Changzhi Ai, Shuang Han, Xin Yang, Tejs Vegge, Heine Anton Hansen

Version 1 posted 25 August 2023

266

Downloads

Theoretical and Computational Chemistry

Working Paper

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

Magnus Strandgaard, Julius Seumer, Bardi Benediktsson, Arghya Bhowmik, Tejs Vegge, Jan H. Jensen

Version 1 posted 23 June 2023

441

Downloads

3

Citations

Catalysis

Working Paper

High-throughput compositional screening of PdxTi1–xHy and PdxNb1–xHy hydrides for CO2 reduction

Changzhi Ai, Jin Hyun Chang, Alexander Sougaard Tygesen, Tejs Vegge, Heine Anton Hansen

Version 1 posted 24 August 2023

165

Downloads

Analytical Chemistry

Working Paper

Autonomous battery optimisation by deploying distributed experiments and simulations

Monika Vogler, Simon Steensen, Francisco Ramirez, Leon Merker, Jonas Busk, Johan M. Carlsson, Laura Rieger, Bojing Zhang, Francois Liot, Giovanni Pizzi, Felix Hanke, Eibar Flores, Hamidreza Hajiyani, Stefan Fuchs, Alexey Sanin, Miran Gaberscek, Ivano Castelli, Simon Clark, Tejs Vegge, Arghya Bhowmik, Helge Sören Stein

Version 1 posted 16 May 2024

502

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Steen Lysgaard, Paul C. Jennings, Jens Strabo Hummelshøj, Thomas Bligaard, Tejs Vegge

Version 2 posted 10 December 2018

1,068

Downloads

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27 results in Tejs Vegge in Authors: Tejs Vegge

Autonomous Discovery of Materials for Intercalation Electrodes

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

Strain Induced Tunability of the Electronic Properties of SrTiO3 Interfaces

Low-temperature ammonia synthesis on electron-rich [RuH6] catalytic centers

Molecular Engineering Strategies for Symmetric Aqueous Organic Redox Flow Batteries

Graph neural network-accelerated multitasking genetic algorithm for optimizing PdxTi1–xHy surface under various CO2 reduction reaction conditions

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

High-throughput compositional screening of PdxTi1–xHy and PdxNb1–xHy hydrides for CO2 reduction

Autonomous battery optimisation by deploying distributed experiments and simulations

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

27 results in Authors: Tejs Vegge