The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
Haastrup, Sten, Strange, Mikkel, Pandey, Mohnish, Deilmann, Thorsten, Schmidt, Per S, Hinsche, Nicki F, Gjerding, Morten N, Torelli, Daniele, Larsen, Peter M, Riis-Jensen, Anders C, Gath, Jakob, Jacobsen, Karsten W, Jørgen Mortensen, Jens, Olsen, Thomas, Thygesen, Kristian S
Published in 2d materials (07.09.2018)
Published in 2d materials (07.09.2018)
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Journal Article
The atomic simulation environment-a Python library for working with atoms
Hjorth Larsen, Ask, Jørgen Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano E, Christensen, Rune, Du ak, Marcin, Friis, Jesper, Groves, Michael N, Hammer, Bjørk, Hargus, Cory, Hermes, Eric D, Jennings, Paul C, Bjerre Jensen, Peter, Kermode, James, Kitchin, John R, Leonhard Kolsbjerg, Esben, Kubal, Joseph, Kaasbjerg, Kristen, Lysgaard, Steen, Bergmann Maronsson, Jón, Maxson, Tristan, Olsen, Thomas, Pastewka, Lars, Peterson, Andrew, Rostgaard, Carsten, Schiøtz, Jakob, Schütt, Ole, Strange, Mikkel, Thygesen, Kristian S, Vegge, Tejs, Vilhelmsen, Lasse, Walter, Michael, Zeng, Zhenhua, Jacobsen, Karsten W
Published in Journal of physics. Condensed matter (12.07.2017)
Published in Journal of physics. Condensed matter (12.07.2017)
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Journal Article
Recent progress of the Computational 2D Materials Database (C2DB)
Gjerding, Morten Niklas, Taghizadeh, Alireza, Rasmussen, Asbjørn, Ali, Sajid, Bertoldo, Fabian, Deilmann, Thorsten, Knøsgaard, Nikolaj Rørbæk, Kruse, Mads, Larsen, Ask Hjorth, Manti, Simone, Pedersen, Thomas Garm, Petralanda, Urko, Skovhus, Thorbjørn, Svendsen, Mark Kamper, Mortensen, Jens Jørgen, Olsen, Thomas, Thygesen, Kristian Sommer
Published in 2d materials (01.10.2021)
Published in 2d materials (01.10.2021)
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Journal Article
Chemisorption of gas atoms on one-dimensional transition-metal halides
Moustafa, Hadeel, Mortensen, Jens Jørgen, Rossmeisl, Jan, Jacobsen, Karsten Wedel
Published in Applied surface science (15.03.2024)
Published in Applied surface science (15.03.2024)
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Journal Article
Atomic Simulation Recipes: A Python framework and library for automated workflows
Gjerding, Morten, Skovhus, Thorbjørn, Rasmussen, Asbjørn, Bertoldo, Fabian, Larsen, Ask Hjorth, Mortensen, Jens Jørgen, Thygesen, Kristian Sommer
Published in Computational materials science (01.11.2021)
Published in Computational materials science (01.11.2021)
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Journal Article
Time-dependent density-functional theory in the projector augmented-wave method
Walter, Michael, Häkkinen, Hannu, Lehtovaara, Lauri, Puska, Martti, Enkovaara, Jussi, Rostgaard, Carsten, Mortensen, Jens Jorgen
Published in The Journal of chemical physics (28.06.2008)
Published in The Journal of chemical physics (28.06.2008)
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Journal Article
Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method
Melander, Marko, Jónsson, Elvar Ö, Mortensen, Jens J, Vegge, Tejs, García Lastra, Juan Maria
Published in Journal of chemical theory and computation (08.11.2016)
Published in Journal of chemical theory and computation (08.11.2016)
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Journal Article
Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
Møgelhøj, Andreas, Kelkkanen, André K, Wikfeldt, K. Thor, Schiøtz, Jakob, Mortensen, Jens Jørgen, Pettersson, Lars G. M, Lundqvist, Bengt I, Jacobsen, Karsten W, Nilsson, Anders, Nørskov, Jens K
Published in The journal of physical chemistry. B (08.12.2011)
Published in The journal of physical chemistry. B (08.12.2011)
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Journal Article
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard⁻Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles
Ougaard Dohn, Asmus, Selli, Daniele, Fazio, Gianluca, Ferraro, Lorenzo, Mortensen, Jens Jørgen, Civalleri, Bartolomeo, Di Valentin, Cristiana
Published in Molecules (Basel, Switzerland) (13.11.2018)
Published in Molecules (Basel, Switzerland) (13.11.2018)
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Journal Article
Efficient first principles simulation of electron scattering factors for transmission electron microscopy
Susi, Toma, Madsen, Jacob, Ludacka, Ursula, Mortensen, Jens Jørgen, Pennycook, Timothy J., Lee, Zhongbo, Kotakoski, Jani, Kaiser, Ute, Meyer, Jannik C.
Published in Ultramicroscopy (01.02.2019)
Published in Ultramicroscopy (01.02.2019)
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Journal Article
Reassessment of a classical single injection 51Cr-EDTA clearance method for determination of renal function in children and adults. Part I: Analytically correct relationship between total and one-pool clearance
Jødal, Lars, Brøchner-Mortensen, Jens
Published in Scandinavian journal of clinical and laboratory investigation (01.01.2009)
Published in Scandinavian journal of clinical and laboratory investigation (01.01.2009)
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Journal Article
The Effect of Irbesartan on the Development of Diabetic Nephropathy in Patients with Type 2 Diabetes
Parving, Hans-Henrik, Lehnert, Hendrik, Bröchner-Mortensen, Jens, Gomis, Ramon, Andersen, Steen, Arner, Peter
Published in The New England journal of medicine (20.09.2001)
Published in The New England journal of medicine (20.09.2001)
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Journal Article
Numerical quality control for DFT-based materials databases
Carbogno, Christian, Thygesen, Kristian Sommer, Bieniek, Björn, Draxl, Claudia, Ghiringhelli, Luca M., Gulans, Andris, Hofmann, Oliver T., Jacobsen, Karsten W., Lubeck, Sven, Mortensen, Jens Jørgen, Strange, Mikkel, Wruss, Elisabeth, Scheffler, Matthias
Published in npj computational materials (19.04.2022)
Published in npj computational materials (19.04.2022)
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Journal Article
RPBE-vdW Description of Benzene Adsorption on Au(111)
Wellendorff, Jess, Kelkkanen, André, Mortensen, Jens Jørgen, Lundqvist, Bengt I., Bligaard, Thomas
Published in Topics in catalysis (01.05.2010)
Published in Topics in catalysis (01.05.2010)
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