Tejs Vegge

Affiliations

Department of Energy Conversion and Storage, Technical University of Denmark (DTU), Anker Engelunds Vej, 2800, Kgs. Lyngby, Denmark.

Publications (38)

Modeling of Electron-Transfer Kinetics in Magnesium Electrolytes: Influence of the Solvent on the Battery Performance.

ChemSusChem

Avec: Janina Drews , Piotr Jankowski , Joachim Häcker , Zhenyou Li , Timo Danner , Juan Maria García Lastra , Tejs Vegge , Norbert Wagner , K Andreas Friedrich , Zhirong Zhao-Karger , Maximilian Fichtner , Arnulf Latz

CALiSol-23: Experimental electrolyte conductivity data for various Li-salts and solvent combinations.

Scientific data

Avec: Paolo de Blasio , Jonas Elsborg , Tejs Vegge , Eibar Flores , Arghya Bhowmik

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

Journal of chemical theory and computation

Avec: Nicolai Rask Mathiesen , Hannes Jónsson , Tejs Vegge , Juan Maria García Lastra

The influence of silica surface groups on the Li-ion conductivity of LiBH

Physical chemistry chemical physics : PCCP

Avec: Peter Ngene , Sander F H Lambregts , Didier Blanchard , Tejs Vegge , Manish Sharma , Hans Hagemann , Petra E de Jongh

Is the water/Pt(111) interface ordered at room temperature?

The Journal of chemical physics

Avec: August E G Mikkelsen , Jakob Schiøtz , Tejs Vegge , Karsten W Jacobsen

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

ChemSusChem

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

Accelerated chemical science with AI.

Digital discovery

Avec: Seoin Back , Alán Aspuru-Guzik , Michele Ceriotti , Ganna Gryn'ova , Bartosz Grzybowski , Geun Ho Gu , Jason Hein , Kedar Hippalgaonkar , Rodrigo Hormázabal , Yousung Jung , Seonah Kim , Woo Youn Kim , Seyed Mohamad Moosavi , Juhwan Noh , Changyoung Park , Joshua Schrier , Philippe Schwaller , Koji Tsuda , Tejs Vegge , O Anatole von Lilienfeld , Aron Walsh

Transition1x - a dataset for building generalizable reactive machine learning potentials.

Scientific data

Avec: Mathias Schreiner , Arghya Bhowmik , Tejs Vegge , Jonas Busk , Ole Winther

MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods.

Scientific data

Avec: Surajit Nandi , Tejs Vegge , Arghya Bhowmik

Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance.

ChemSusChem

Avec: Janina Drews , Timo Danner , Piotr Jankowski , Tejs Vegge , Juan Maria García Lastra , Runyu Liu , Zhirong Zhao-Karger , Maximilian Fichtner , Arnulf Latz

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

Journal of physics. Condensed matter : an Institute of Physics journal

Avec: Jin Hyun Chang , David Kleiven , Marko Melander , Jaakko Akola , Juan Maria Garcia-Lastra , Tejs Vegge

Artificial Intelligence Applied to Battery Research: Hype or Reality?

Chemical reviews

Avec: Teo Lombardo , Marc Duquesnoy , Hassna El-Bouysidy , Fabian Årén , Alfonso Gallo-Bueno , Peter Bjørn Jørgensen , Arghya Bhowmik , Arnaud Demortière , Elixabete Ayerbe , Francisco Alcaide , Marine Reynaud , Javier Carrasco , Alexis Grimaud , Chao Zhang , Tejs Vegge , Patrik Johansson , Alejandro A Franco

Metal-Doped PdH(111) Catalysts for CO

ChemSusChem

Avec: Changzhi Ai , Tejs Vegge , Heine Anton Hansen

Transition-Metal-Free Barium Hydride Mediates Dinitrogen Fixation and Ammonia Synthesis.

Angewandte Chemie (International ed. in English)

Avec: Yeqin Guan , Chuangwei Liu , Qianru Wang , Wenbo Gao , Heine Anton Hansen , Jianping Guo , Tejs Vegge , Ping Chen

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.

Journal of chemical information and modeling

Avec: Surajit Nandi , Jonas Busk , Peter Bjørn Jørgensen , Tejs Vegge , Arghya Bhowmik

Graph neural network interatomic potential ensembles with calibrated aleatoric and epistemic uncertainty on energy and forces.

Physical chemistry chemical physics : PCCP

Avec: Jonas Busk , Mikkel N Schmidt , Ole Winther , Tejs Vegge , Peter Bjørn Jørgensen

Computational Investigation of LiF Formation at Graphite-Electrolyte Interfaces.

ACS applied materials & interfaces

Avec: Xueping Qin , Arghya Bhowmik , Tejs Vegge , Ivano E Castelli

PerQueue: managing complex and dynamic workflows.

Digital discovery

Avec: Benjamin Heckscher Sjølin , William Sandholt Hansen , Armando Antonio Morin-Martinez , Martin Hoffmann Petersen , Laura Hannemose Rieger , Tejs Vegge , Juan Maria García-Lastra , Ivano E Castelli

Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst.

Nature communications

Avec: Chunzhen Yang , Gwenaëlle Rousse , Katrine Louise Svane , Paul E Pearce , Artem M Abakumov , Michael Deschamps , Giannantonio Cibin , Alan V Chadwick , Daniel Alves Dalla Corte , Heine Anton Hansen , Tejs Vegge , Jean-Marie Tarascon , Alexis Grimaud

Improving the Activity of M-N

ChemSusChem

Avec: Katrine L Svane , Mateusz Reda , Tejs Vegge , Heine A Hansen

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

ChemSusChem

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

Phase-Field Investigation of Lithium Electrodeposition at Different Applied Overpotentials and Operating Temperatures.

ACS applied materials & interfaces

Avec: Joonyeob Jeon , Gil Ho Yoon , Tejs Vegge , Jin Hyun Chang

Oxidation and de-alloying of PtMn particle models: a computational investigation.

Faraday discussions

Avec: Thantip Roongcharoen , Xin Yang , Shuang Han , Luca Sementa , Tejs Vegge , Heine Anton Hansen , Alessandro Fortunelli

Giant In-Plane Flexoelectricity and Radial Polarization in Janus IV-VI Monolayers and Nanotubes.

ACS applied materials & interfaces

Avec: Kai Zheng , Tejs Vegge , Ivano E Castelli

Neural network potentials for accelerated metadynamics of oxygen reduction kinetics at Au-water interfaces.

Chemical science

Avec: Xin Yang , Arghya Bhowmik , Tejs Vegge , Heine Anton Hansen

Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing Pd

ACS applied materials & interfaces

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

Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface.

Chemical communications (Cambridge, England)

Avec: Henrik H Kristoffersen , Karen Chan , Tejs Vegge , Heine Anton Hansen

Multi-Electron Reactions Enabled by Anion-Based Redox Chemistry for High-Energy Multivalent Rechargeable Batteries.

Angewandte Chemie (International ed. in English)

Avec: Zhenyou Li , Bhaghavathi P Vinayan , Piotr Jankowski , Christian Njel , Ananyo Roy , Tejs Vegge , Julia Maibach , Juan Maria García Lastra , Maximilian Fichtner , Zhirong Zhao-Karger

The effect of CO

The Journal of chemical physics

Avec: Natei Ermias Benti , Yedilfana Setarge Mekonnen , Rune Christensen , Girum Ayalneh Tiruye , Juan Maria Garcia-Lastra , Tejs Vegge

Dual Role of Mo

Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Avec: Liping Wang , Piotr Jankowski , Christian Njel , Werner Bauer , Zhenyou Li , Zhen Meng , Bosubabu Dasari , Tejs Vegge , Juan Maria García Lastra , Zhirong Zhao-Karger , Maximilian Fichtner

CO

The Journal of chemical physics

Avec: Xueping Qin , Tejs Vegge , Heine Anton Hansen

Heterogeneity in susceptibility dictates the order of epidemic models.

Journal of theoretical biology

Avec: Christopher Rose , Andrew J Medford , C Franklin Goldsmith , Tejs Vegge , Joshua S Weitz , Andrew A Peterson

Structure and energetics of liquid water-hydroxyl layers on Pt(111).

Physical chemistry chemical physics : PCCP

Avec: August E G Mikkelsen , Henrik H Kristoffersen , Jakob Schiøtz , Tejs Vegge , Heine A Hansen , Karsten W Jacobsen

High-throughput Compositional Screening of Pd

ChemSusChem

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

Cation-Coordinated Inner-Sphere CO

Journal of the American Chemical Society

Avec: Xueping Qin , Tejs Vegge , Heine Anton Hansen

Structural and electronic properties of double wall MoSTe nanotubes.

Physical chemistry chemical physics : PCCP

Avec: Zhenyun Lan , Theresa Isabelle Manguerra Kapunan , Tejs Vegge , Ivano E Castelli

Understanding the electronic and structural effects in ORR intermediate binding on anion-substituted zirconia surfaces.

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Sukanya Sinha , Tejs Vegge , Kirsten T Winther , Heine Anton Hansen

Materials Acceleration Platforms (MAPs) Accelerating Materials Research and Development to Meet Urgent Societal Challenges.

Advanced materials (Deerfield Beach, Fla.)

Avec: Simon P Stier , Christoph Kreisbeck , Holger Ihssen , Matthias Albert Popp , Jens Hauch , Kourosh Malek , Marine Reynaud , T P M Goumans , Johan Carlsson , Ilian Todorov , Lukas Gold , Andreas Räder , Wolfgang Wenzel , Shahbaz Tareq Bandesha , Philippe Jacques , Francisco Garcia-Moreno , Oier Arcelus , Pascal Friederich , Simon Clark , Mario Maglione , Anssi Laukkanen , Ivano Eligio Castelli , Javier Carrasco , Montserrat Casas Cabanas , Helge Sören Stein , Ozlem Ozcan , David Elbert , Karsten Reuter , Christoph Scheurer , Masahiko Demura , Sang Soo Han , Tejs Vegge , Sawako Nakamae , Monica Fabrizio , Mark Kozdras

Réseau de co-auteurs

Heine Anton Hansen 11 collaborations

Arghya Bhowmik 9 collaborations

Piotr Jankowski 6 collaborations

Juan Maria García Lastra 5 collaborations

Zhirong Zhao-Karger 4 collaborations

Maximilian Fichtner 4 collaborations

Ivano E Castelli 4 collaborations

Zhenyou Li 3 collaborations

Jonas Busk 3 collaborations

Jin Hyun Chang 3 collaborations

Peter Bjørn Jørgensen 3 collaborations

Changzhi Ai 3 collaborations

Xueping Qin 3 collaborations

Xin Yang 3 collaborations

Janina Drews 2 collaborations

Timo Danner 2 collaborations

Arnulf Latz 2 collaborations

August E G Mikkelsen 2 collaborations

Jakob Schiøtz 2 collaborations

Karsten W Jacobsen 2 collaborations

David Carrasco-Busturia 2 collaborations

Steen Lysgaard 2 collaborations

Juan María García-Lastra 2 collaborations

Ole Winther 2 collaborations

Surajit Nandi 2 collaborations

Juan Maria Garcia-Lastra 2 collaborations

Marine Reynaud 2 collaborations

Javier Carrasco 2 collaborations

Alexis Grimaud 2 collaborations

Heine A Hansen 2 collaborations

Shuang Han 2 collaborations

Henrik H Kristoffersen 2 collaborations

Christian Njel 2 collaborations

Joachim Häcker 1 collaboration

Norbert Wagner 1 collaboration

K Andreas Friedrich 1 collaboration

Paolo de Blasio 1 collaboration

Jonas Elsborg 1 collaboration

Eibar Flores 1 collaboration

Nicolai Rask Mathiesen 1 collaboration

Hannes Jónsson 1 collaboration

Peter Ngene 1 collaboration

Sander F H Lambregts 1 collaboration

Didier Blanchard 1 collaboration

Manish Sharma 1 collaboration

Hans Hagemann 1 collaboration

Petra E de Jongh 1 collaboration

Seoin Back 1 collaboration

Alán Aspuru-Guzik 1 collaboration

Michele Ceriotti 1 collaboration

Ganna Gryn'ova 1 collaboration

Bartosz Grzybowski 1 collaboration

Geun Ho Gu 1 collaboration

Jason Hein 1 collaboration

Kedar Hippalgaonkar 1 collaboration

Rodrigo Hormázabal 1 collaboration

Yousung Jung 1 collaboration

Seonah Kim 1 collaboration

Woo Youn Kim 1 collaboration

Seyed Mohamad Moosavi 1 collaboration

Juhwan Noh 1 collaboration

Changyoung Park 1 collaboration

Joshua Schrier 1 collaboration

Philippe Schwaller 1 collaboration

Koji Tsuda 1 collaboration

O Anatole von Lilienfeld 1 collaboration

Aron Walsh 1 collaboration

Mathias Schreiner 1 collaboration

Runyu Liu 1 collaboration

David Kleiven 1 collaboration

Marko Melander 1 collaboration

Jaakko Akola 1 collaboration

Teo Lombardo 1 collaboration

Marc Duquesnoy 1 collaboration

Hassna El-Bouysidy 1 collaboration

Fabian Årén 1 collaboration

Alfonso Gallo-Bueno 1 collaboration

Arnaud Demortière 1 collaboration

Elixabete Ayerbe 1 collaboration

Francisco Alcaide 1 collaboration

Chao Zhang 1 collaboration

Patrik Johansson 1 collaboration

Alejandro A Franco 1 collaboration

Yeqin Guan 1 collaboration

Chuangwei Liu 1 collaboration

Qianru Wang 1 collaboration

Wenbo Gao 1 collaboration

Jianping Guo 1 collaboration

Ping Chen 1 collaboration

Mikkel N Schmidt 1 collaboration

Benjamin Heckscher Sjølin 1 collaboration

William Sandholt Hansen 1 collaboration

Armando Antonio Morin-Martinez 1 collaboration

Martin Hoffmann Petersen 1 collaboration

Laura Hannemose Rieger 1 collaboration

Juan Maria García-Lastra 1 collaboration

Chunzhen Yang 1 collaboration

Gwenaëlle Rousse 1 collaboration

Katrine Louise Svane 1 collaboration

Paul E Pearce 1 collaboration

Artem M Abakumov 1 collaboration

Michael Deschamps 1 collaboration

Giannantonio Cibin 1 collaboration

Alan V Chadwick 1 collaboration

Daniel Alves Dalla Corte 1 collaboration

Jean-Marie Tarascon 1 collaboration

Katrine L Svane 1 collaboration

Mateusz Reda 1 collaboration

Joonyeob Jeon 1 collaboration

Gil Ho Yoon 1 collaboration

Thantip Roongcharoen 1 collaboration

Luca Sementa 1 collaboration

Alessandro Fortunelli 1 collaboration

Kai Zheng 1 collaboration

Karen Chan 1 collaboration

Bhaghavathi P Vinayan 1 collaboration

Ananyo Roy 1 collaboration

Julia Maibach 1 collaboration

Natei Ermias Benti 1 collaboration

Yedilfana Setarge Mekonnen 1 collaboration

Rune Christensen 1 collaboration

Girum Ayalneh Tiruye 1 collaboration

Liping Wang 1 collaboration

Werner Bauer 1 collaboration

Zhen Meng 1 collaboration

Bosubabu Dasari 1 collaboration

Christopher Rose 1 collaboration

Andrew J Medford 1 collaboration

C Franklin Goldsmith 1 collaboration

Joshua S Weitz 1 collaboration

Andrew A Peterson 1 collaboration

Alexander Sougaard Tygesen 1 collaboration

Zhenyun Lan 1 collaboration

Theresa Isabelle Manguerra Kapunan 1 collaboration

Sukanya Sinha 1 collaboration

Kirsten T Winther 1 collaboration

Simon P Stier 1 collaboration

Christoph Kreisbeck 1 collaboration

Holger Ihssen 1 collaboration

Matthias Albert Popp 1 collaboration

Jens Hauch 1 collaboration

Kourosh Malek 1 collaboration

T P M Goumans 1 collaboration

Johan Carlsson 1 collaboration

Ilian Todorov 1 collaboration

Lukas Gold 1 collaboration

Andreas Räder 1 collaboration

Wolfgang Wenzel 1 collaboration

Shahbaz Tareq Bandesha 1 collaboration

Philippe Jacques 1 collaboration

Francisco Garcia-Moreno 1 collaboration

Oier Arcelus 1 collaboration

Pascal Friederich 1 collaboration

Simon Clark 1 collaboration

Mario Maglione 1 collaboration

Anssi Laukkanen 1 collaboration

Ivano Eligio Castelli 1 collaboration

Montserrat Casas Cabanas 1 collaboration

Helge Sören Stein 1 collaboration

Ozlem Ozcan 1 collaboration

David Elbert 1 collaboration

Karsten Reuter 1 collaboration

Christoph Scheurer 1 collaboration

Masahiko Demura 1 collaboration

Sang Soo Han 1 collaboration

Sawako Nakamae 1 collaboration

Monica Fabrizio 1 collaboration

Mark Kozdras 1 collaboration