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Kristian S. Thygesen

Technical University of Denmark

79H-index
356Paper Count
2.9WCitation Count
Published Papers 176
Publication Date
Two-dimensional materials need a shared experimental memory
err2026-06-24
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PREAI
errM. Amin Akhound; Mikkel O. Sauer; Kristian S. Thygesen
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Large-Scale Integration of Experimental and Computational Data for 2D Materials
err2026-04-07
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errOAAI
errM. Amin Akhound; Tara M. Boland; Mikkel O. Sauer; Matthias Batzill; B. Moses Abraham; Stela Canulescu; Yury Gogotsi; Philip Hofmann; Andras Kis; Jiong Lu; Thomas Michely; Søren Raza; Wencai Ren; Joshua A. Robinson; Zdenek Sofer; Jinghua Teng; Søren Ulstrup; Meng Zhao; Xiaoxu Zhao; Jens J. Mortensen; Thomas Olsen; Kristian S. Thygesen
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Accelerating point defect photo-emission calculations with machine learning interatomic potentials
err2025-11-17
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errOAAI
errKartikeya Sharma; Antoine Loew; Haiyuan Wang; Fredrik A. Nilsson; Manjari Jain; Miguel A. L. Marques; Kristian S. Thygesen
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Computational discovery and experimental validation of high–refractive index HfS2 nanoresonators
err2025-11-05
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PREAI
errXavier Zambrana-Puyalto; Mark Kamper Svendsen; Amalie H. Søndersted; Avishek Sarbajna; Joakim P. Sandberg; Albert L. Riber; Georgy Ermolaev; Tara Maria Boland; Gleb Tselikov; Valentyn S. Volkov; Kristian S. Thygesen; Søren Raza
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Taskblaster: A generic framework for automated computational workflows
err2025-08-02
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errOAAI
errAsk Hjorth Larsen; Mikael J. Kuisma; Tara Maria Boland; Fredrik A. Nilsson; Kristian Sommer Thygesen
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Properties of quantum emitters in different hBN sample types particularly suited for nanophotonic integration
err2025-05-22
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PREAI
errAmbika Shorny; Hardy Schauffert; James C Stewart; Sajid Ali; Stefan Walser; Helmut Hörner; Adarsh S Prasad; Vitaly Babenko; Ye Fan; Dominik Eder; Kristian S Thygesen; Stephan Hofmann; Bernhard C Bayer; Sarah M Skoff
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Linear Electro-Optic Effect in 2D Ferroelectric for Electrically Tunable Metalens
err2024-05-22
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PREAI
errLiu, Yuanda; Wu, Yaze; Duan, Ruihuan; Fu, Jichao; Ovesen, Martin; Lai, Samuel Chang En; Yeo, Think-E; Chee, Jing Yee; Chen, Yunjie; Teo, Siew Lang; Tan, Hui Ru; Zhang, Wang; Yang, Joel K. W.; Thygesen, Kristian Sommer; Liu, Zheng; Zhang, Yong-Wei; Teng, Jinghua
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GPAW: An open Python package for electronic structure calculations
err2024-03-07
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errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
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High-throughput computational stacking reveals emergent properties in natural van der Waals bilayers
err2024-01-31
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errOAAI
errPakdel, Sahar; Rasmussen, Asbjrn; Taghizadeh, Alireza; Kruse, Mads; Olsen, Thomas; Thygesen, Kristian S.
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Enhancing Metallicity and Basal Plane Reactivity of 2D Materials via Self-Intercalation
err2024-01-30
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errOAAI
errAmerico, Stefano; Pakdel, Sahar; Thygesen, Kristian Sommer
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Ab Initio Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments
err2024-01-08
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errOAAI
errSvendsen, Mark Kamper; Thygesen, Kristian Sommer; Rubio, Angel; Flick, Johannes
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Selenium and the role of defects for photovoltaic applications
err2024-01-05
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PREAI
errMoustafa, Hadeel; Kangsabanik, Jiban; Bertoldo, Fabian; Manti, Simone; Thygesen, Kristian S.; Jacobsen, Karsten W.; Olsen, Thomas
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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
err2024-01-01
err9
errOAAI
errEvans, Matthew L.; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W.; Andersson, Oskar B.; Beltran, Daniel; Blokhin, Evgeny; Boland, Tara M.; Castaneda Balderas, Ruben; Choudhary, Kamal; Diaz Diaz, Alberto; Dominguez Garcia, Rodrigo; Eckert, Hagen; Eimre, Kristjan; Fuentes Montero, Maria Elena; Krajewski, Adam M.; Mortensen, Jens Jorgen; Napoles Duarte, Jose Manuel; Pietryga, Jacob; Qi, Ji; Trejo Carrillo, Felipe de Jesus; Vaitkus, Antanas; Yu, Jusong; Zettel, Adam; de Castro, Pedro Baptista; Carlsson, Johan; Cerqueira, Tiago F. T.; Divilov, Simon; Hajiyani, Hamidreza; Hanke, Felix; Jose, Kevin; Oses, Corey; Riebesell, Janosh; Schmidt, Jonathan; Winston, Donald; Xie, Christen; Yang, Xiaoyu; Bonella, Sara; Botti, Silvana; Curtarolo, Stefano; Draxl, Claudia; Fuentes Cobas, Luis Edmundo; Hospital, Adam; Liu, Zi-Kui; Marques, Miguel A. L.; Marzari, Nicola; Morris, Andrew J.; Ong, Shyue Ping; Orozco, Modesto; Persson, Kristin A.; Thygesen, Kristian S.; Wolverton, Chris; Scheidgen, Markus; Toher, Cormac; Conduit, Gareth J.; Pizzi, Giovanni; Grazulis, Saulius; Rignanese, Gian-Marco; Armiento, Rickard
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High-Throughput Search for Triplet Point Defects with Narrow Emission Lines in 2D Materials
err2023-10-27
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errOAAI
errAli, Sajid; Nilsson, Fredrik Andreas; Manti, Simone; Bertoldo, Fabian; Mortensen, Jens Jorgen; Thygesen, Kristian Sommer
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Signatures of non-Markovianity in cavity QED with color centers in two-dimensional materials
err2023-09-15
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errOAAI
errSvendsen, Mark Kamper; Ali, Sajid; Stenger, Nicolas; Thygesen, Kristian Sommer; Iles-Smith, Jake
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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 (M = Sr, Ba)
err2023-08-21
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errOAAI
errBigi, Chiara; Pakdel, Sahar; Winiarski, Michal J.; Orgiani, Pasquale; Vobornik, Ivana; Fujii, Jun; Rossi, Giorgio; Polewczyk, Vincent; King, Phil D. C.; Panaccione, Giancarlo; Klimczuk, Tomasz; Thygesen, Kristian Sommer; Mazzola, Federico
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Exciton superfluidity in two-dimensional heterostructures from first principles: Importance of material-specific screening
err2023-07-20
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errOAAI
errHojlund, Rune; Grovn, Emil; Pakdel, Sahar; Thygesen, Kristian S.; Nilsson, Fredrik
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Molybdenum Disulfide Nanoribbons with Enhanced Edge Nonlinear Response and Photoresponsivity
err2023-06-25
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errOAAI
errGhimire, Ganesh; Ulaganathan, Rajesh Kumar; Tempez, Agnes; Ilchenko, Oleksii; Unocic, Raymond R.; Heske, Julian; Miakota, Denys I.; Xiang, Cheng; Chaigneau, Marc; Booth, Tim; Boggild, Peter; Thygesen, Kristian S.; Geohegan, David B.; Canulescu, Stela
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Two-dimensional ferroelectrics from high throughput computational screening
err2023-03-29
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errOAAI
errKruse, Mads; Petralanda, Urko; Gjerding, Morten N.; Jacobsen, Karsten W.; Thygesen, Kristian S.; Olsen, Thomas
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Shift current photovoltaic efficiency of 2D materials
err2023-03-06
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errOAAI
errSauer, Mikkel Ohm; Taghizadeh, Alireza; Petralanda, Urko; Ovesen, Martin; Thygesen, Kristian Sommer; Olsen, Thomas; Cornean, Horia; Pedersen, Thomas Garm
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