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Karsten W. Jacobsen

Leibniz University Hannover

86H-index
331Paper Count
4.4WCitation Count
Published Papers 114
Publication Date
Global atomic structure optimization through machine-learning-enabled barrier circumvention in extra dimensions
err2025-07-10
err0
errOAAI
errCasper Larsen; Sami Kaappa; Andreas Lynge Vishart; Thomas Bligaard; Karsten Wedel Jacobsen
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Moire Patterns in Pt Overlayers on Gold: A Graph Neural Network Interatomic Potential Study
err2024-10-30
err1
PREAI
errWolter, Trenton; Smith, Evangelos; Schimmenti, Roberto; Schiotz, Jakob; Jacobsen, Karsten Wedel; Mavrikakis, Manos
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GPAW: An open Python package for electronic structure calculations
err2024-03-07
err58
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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Chemisorption of gas atoms on one-dimensional transition-metal halides
err2024-03-01
err0
errOAAI
errMoustafa, Hadeel; Mortensen, Jens Jorgen; Rossmeisl, Jan; Jacobsen, Karsten Wedel
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Selenium and the role of defects for photovoltaic applications
err2024-01-05
err3
PREAI
errMoustafa, Hadeel; Kangsabanik, Jiban; Bertoldo, Fabian; Manti, Simone; Thygesen, Kristian S.; Jacobsen, Karsten W.; Olsen, Thomas
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Machine-learning-enabled optimization of atomic structures using atoms with fractional existence
err2023-06-15
err4
errOAAI
errLarsen, Casper; Kaappa, Sami; Vishart, Andreas Lynge; Bligaard, Thomas; Jacobsen, Karsten Wedel
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Two-dimensional ferroelectrics from high throughput computational screening
err2023-03-29
err26
errOAAI
errKruse, Mads; Petralanda, Urko; Gjerding, Morten N.; Jacobsen, Karsten W.; Thygesen, Kristian S.; Olsen, Thomas
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Hundreds of new, stable, one-dimensional materials from a generative machine learning model
err2023-01-30
err14
errOAAI
errMoustafa, Hadeel; Lyngby, Peder Meisner; Mortensen, Jens Jorgen; Thygesen, Kristian S.; Jacobsen, Karsten W.
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A Career in Catalysis: Jens Kehlet Norskov
err2022-07-25
err34
PREAI
errMedford, Andrew J.; Moses, Poul Georg; Jacobsen, Karsten Wedel; Peterson, Andrew A.
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Computational exfoliation of atomically thin one-dimensional materials with application to Majorana bound states
err2022-06-29
err10
errOAAI
errMoustafa, Hadeel; Larsen, Peter Mahler; Gjerding, Morten N.; Mortensen, Jens Jorgen; Thygesen, Kristian S.; Jacobsen, Karsten W.
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Numerical quality control for DFT-based materials databases
err2022-04-19
err12
errOAAI
errCarbogno, Christian; Thygesen, Kristian Sommer; Bieniek, Bjoern; Draxl, Claudia; Ghiringhelli, Luca M.; Gulans, Andris; Hofmann, Oliver T.; Jacobsen, Karsten W.; Lubeck, Sven; Mortensen, Jens Jorgen; Strange, Mikkel; Wruss, Elisabeth; Scheffler, Matthias
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Is the water/Pt(111) interface ordered at room temperature?
err2021-12-08
err21
errOAAI
errMikkelsen, August E. G.; Schiotz, Jakob; Vegge, Tejs; Jacobsen, Karsten W.
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Global optimization of atomic structures with gradient-enhanced Gaussian process regression
err2021-05-28
err29
errOAAI
errKaappa, Sami; del Rio, Estefania Garijo; Jacobsen, Karsten Wedel
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Machine learning with bond information for local structure optimizations in surface science
err2020-12-21
err13
errOAAI
errdel Rio, Estefania Garijo; Kaappa, Sami; Torres, Jose A. Garrido; Bligaard, Thomas; Jacobsen, Karsten Wedel
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Materials property prediction using symmetry-labeled graphs as atomic position independent descriptors
err2019-09-26
err12
errOAAI
errJorgensen, Peter Bjorn; del Rio, Estefania Garijo; Schmidt, Mikkel N.; Jacobsen, Karsten Wedel
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Local Bayesian optimizer for atomic structures
err2019-09-05
err62
errOAAI
errdel Rio, Estefania Garijo; Mortensen, Jens Jorgen; Jacobsen, Karsten Wedel
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