arrow
Back
J

Jens Jørgen Mortensen

technical university of denmark

30H-index
64Paper Count
1.2WCitation Count
Published Papers 24
Publication Date
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
err2025-08-04
err0
errOAAI
errAleksei V. Ivanov; Andrew Patterson; Marius Bothe; Christoph Sünderhauf; Bjorn K. Berntson; Jens Jørgen Mortensen; Mikael Kuisma; Earl Campbell; Róbert Izsák
errShare
errSave
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
errShare
errSave
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
errShare
errSave
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
errShare
errSave
High-Throughput Search for Triplet Point Defects with Narrow Emission Lines in 2D Materials
err2023-10-27
err5
errOAAI
errAli, Sajid; Nilsson, Fredrik Andreas; Manti, Simone; Bertoldo, Fabian; Mortensen, Jens Jorgen; Thygesen, Kristian Sommer
errShare
errSave
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.
errShare
errSave
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.
errShare
errSave
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
errShare
errSave
Atomic Simulation Recipes-A Python framework and library for automated workflows
err2021-11-01
err42
errOAAI
errGjerding, Morten; Skovhus, Thorbjorn; Rasmussen, Asbjorn; Bertoldo, Fabian; Larsen, Ask Hjorth; Mortensen, Jens Jorgen; Thygesen, Kristian Sommer
errShare
errSave
Local Bayesian optimizer for atomic structures
err2019-09-05
err62
errOAAI
errdel Rio, Estefania Garijo; Mortensen, Jens Jorgen; Jacobsen, Karsten Wedel
errShare
errSave
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard-Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
err2018-11-13
err9
errOAAI
errDohn, Asmus Ougaard; Selli, Daniele; Fazio, Gianluca; Ferraro, Lorenzo; Mortensen, Jens Jorgen; Civalleri, Bartolomeo; Di Valentin, Cristiana
errShare
errSave
errShare
errSave
Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex
err2017-11-15
err28
errOAAI
errDohn, A. O.; Jonsson, E. O.; Levi, G.; Mortensen, J. J.; Lopez-Acevedo, O.; Thygesen, K. S.; Jacobsen, K. W.; Ulstrup, J.; Henriksen, N. E.; Moller, K. B.; Jonsson, H.
errShare
errSave
Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method
err2016-10-27
err65
PREAI
errMelander, Marko; Jonsson, Elvar O.; Mortensen, Jens J.; Vegge, Tejs; Lastra, Juan Maria Garcia
errShare
errSave
Graphene on metals: A van der Waals density functional study
err2010-02-23
err468
errOAAI
errVanin, M.; Mortensen, J. J.; Kelkkanen, A. K.; Garcia-Lastra, J. M.; Thygesen, K. S.; Jacobsen, K. W.
errShare
errSave
Localized atomic basis set in the projector augmented wave method
err2009-11-18
err332
errOAAI
errLarsen, A. H.; Vanin, M.; Mortensen, J. J.; Thygesen, K. S.; Jacobsen, K. W.
errShare
errSave
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
err2009-07-01
err75
errOAAI
errHummelshoj, J. S.; Landis, D. D.; Voss, J.; Jiang, T.; Tekin, A.; Bork, N.; Dulak, M.; Mortensen, J. J.; Adamska, L.; Andersin, J.; Baran, J. D.; Barmparis, G. D.; Bell, F.; Bezanilla, A. L.; Bjork, J.; Bjorketun, M. E.; Bleken, F.; Buchter, F.; Burkle, M.; Burton, P. D.; Buus, B. B.; Calborean, A.; Calle-Vallejo, F.; Casolo, S.; Chandler, B. D.; Chi, D. H.; Czekaj, I.; Datta, S.; Datye, A.; DeLaRiva, A.; Despoja, V.; Dobrin, S.; Engelund, M.; Ferrighi, L.; Frondelius, P.; Fu, Q.; Fuentes, A.; Furst, J.; Garcia-Fuente, A.; Gavnholt, J.; Goeke, R.; Gudmundsdottir, S.; Hammond, K. D.; Hansen, H. A.; Hibbitts, D.; Hobi, E., Jr.; Howalt, J. G.; Hruby, S. L.; Huth, A.; Isaeva, L.; Jelic, J.; Jensen, I. J. T.; Kacprzak, K. A.; Kelkkanen, A.; Kelsey, D.; Kesanakurthi, D. S.; Kleis, J.; Klupfel, P. J.; Konstantinov, I.; Korytar, R.; Koskinen, P.; Krishna, C.; Kunkes, E.; Larsen, A. H.; Lastra, J. M. G.; Lin, H.; Lopez-Acevedo, O.; Mantega, M.; Martinez, J. I.; Mesa, I. N.; Mowbray, D. J.; Myrdal, J. S. G.; Natanzon, Y.; Nistor, A.; Olsen, T.; Park, H.; Pedroza, L. S.; Petzold, V.; Plaisance, C.; Rasmussen, J. A.; Ren, H.; Rizzi, M.; Ronco, A. S.; Rostgaard, C.; Saadi, S.; Salguero, L. A.; Santos, E. J. G.; Schoenhalz, A. L.; Shen, J.; Smedemand, M.; Stausholm-Moller, O. J.; Stibius, M.; Strange, M.; Su, H. B.; Temel, B.; Toftelund, A.; Tripkovic, V.; Vanin, M.; Viswanathan, V.; Vojvodic, A.; Wang, S.; Wellendorff, J.; Thygesen, K. S.; Rossmeisl, J.; Bligaard, T.; Jacobsen, K. W.; Norskov, J. K.; Vegge, T.
errShare
errSave
errShare
errSave
Time-dependent density-functional theory in the projector augmented-wave method
err2008-06-23
err196
errOAAI
errWalter, Michael; Hakkinen, Hannu; Lehtovaara, Lauri; Puska, Martti; Enkovaara, Jussi; Rostgaard, Carsten; Mortensen, Jens Jorgen
errShare
errSave
Real-space grid implementation of the projector augmented wave method
err2005-01-21
err1.5K
errOAAI
errMortensen, JJ; Hansen, LB; Jacobsen, KW
errShare
errSave