The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals S Haastrup, M Strange, M Pandey, T Deilmann, PS Schmidt, NF Hinsche, ...
2D Materials 5 (4), 042002, 2018
984 2018 Recent progress of the computational 2D materials database (C2DB) MN Gjerding, A Taghizadeh, A Rasmussen, S Ali, F Bertoldo, T Deilmann, ...
2D Materials 8 (4), 044002, 2021
377 2021 Layered van der Waals crystals with hyperbolic light dispersion MN Gjerding, R Petersen, TG Pedersen, NA Mortensen, KS Thygesen
Nature communications 8 (1), 320, 2017
109 2017 Band structure engineered layered metals for low-loss plasmonics M Gjerding, M Pandey, K Thygesen
Nature Communications 8, 15133 (2017), 2017
93 2017 GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ...
The Journal of Chemical Physics 160 (9), 2024
90 2024 Atomic simulation recipes: A python framework and library for automated workflows M Gjerding, T Skovhus, A Rasmussen, F Bertoldo, AH Larsen, ...
Computational Materials Science 199, 110731, 2021
65 2021 MyQueue: Task and workflow scheduling system JJ Mortensen, M Gjerding, KS Thygesen
Journal of Open Source Software 5 (45), 1844, 2020
65 2020 Local plasmon engineering in doped graphene FS Hage, TP Hardcastle, MN Gjerding, DM Kepaptsoglou, CR Seabourne, ...
ACS nano 12 (2), 1837-1848, 2018
37 2018 Efficient Ab Initio Modeling of Dielectric Screening in 2D van der Waals Materials: Including Phonons, Substrates, and Doping MN Gjerding, LSR Cavalcante, A Chaves, KS Thygesen
The Journal of Physical Chemistry C 124 (21), 11609-11616, 2020
33 2020 Two-dimensional ferroelectrics from high throughput computational screening M Kruse, U Petralanda, MN Gjerding, KW Jacobsen, KS Thygesen, ...
npj Computational Materials 9 (1), 45, 2023
28 2023 Enhancing and controlling plasmons in Janus MoSSe–graphene based van der Waals heterostructures LSR Cavalcante, MN Gjerding, A Chaves, KS Thygesen
The Journal of Physical Chemistry C 123 (26), 16373-16379, 2019
28 2019 Limitations of effective medium theory in multilayer graphite/hBN heterostructures R Petersen, TG Pedersen, MN Gjerding, KS Thygesen
Physical Review B 94 (3), 035128, 2016
20 2016 Anomalous exciton Rydberg series in two-dimensional semiconductors on high- AC Riis-Jensen, MN Gjerding, S Russo, KS Thygesen
Physical Review B 102 (20), 201402, 2020
18 2020 Computational exfoliation of atomically thin one-dimensional materials with application to Majorana bound states H Moustafa, PM Larsen, MN Gjerding, JJ Mortensen, KS Thygesen, ...
Physical Review Materials 6 (6), 064202, 2022
12 2022 Reply to comment on ‘The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals’ S Haastrup, M Strange, M Pandey, T Deilmann, PS Schmidt, NF Hinsche, ...
2D Materials 6 (4), 048002, 2019
12 2019 Rydberg atoms in crossed fields AA Belov, AP Kazantsev, DV Khveshchenko, VL Pokrovsky
Journal of Physics B: Atomic and Molecular Physics 18 (24), 4683, 1985
5 1985 Anomalous Non-Hydrogenic Exciton Series in 2D Materials on High- AC Riis-Jensen, MN Gjerding, S Russo, KS Thygesen
arXiv preprint arXiv:2009.12317, 2020
2 2020 GPAW: open Python package for electronic-structure calculations J Jørgen Mortensen, A Hjorth Larsen, M Kuisma, AV Ivanov, ...
arXiv e-prints, arXiv: 2310.14776, 2023
2023 Computational exfoliation of atomically thin 1D materials with application to Majorana bound states H Moustafa, PM Larsen, MN Gjerding, JJ Mortensen, KS Thygesen, ...
arXiv preprint arXiv:2204.00472, 2022
2022 Localized Plasmon Response Engineering in B-and N-Doped Graphene FS Hage, DM Kepaptsoglou, TP Hardcastle, MN Gjerding, KT Winther, ...
Microscopy and Microanalysis 24 (S1), 1580-1581, 2018
2018 