| Atomically thin 2D transition metal oxides: Structural reconstruction, interaction with substrates, and potential applications T Yang, TT Song, M Callsen, J Zhou, JW Chai, YP Feng, SJ Wang, ... Advanced Materials Interfaces 6 (1), 1801160, 2019 | 150 | 2019 |
| Magnetic hardening induced by nonmagnetic organic molecules M Callsen, V Caciuc, N Kiselev, N Atodiresei, S Blügel Physical review letters 111 (10), 106805, 2013 | 115 | 2013 |
| The stability of aluminium oxide monolayer and its interface with two-dimensional materials TT Song, M Yang, JW Chai, M Callsen, J Zhou, T Yang, Z Zhang, JS Pan, ... Scientific reports 6 (1), 29221, 2016 | 80 | 2016 |
| The solvation structure of lithium ions in an ether based electrolyte solution from first-principles molecular dynamics M Callsen, K Sodeyama, Z Futera, Y Tateyama, I Hamada The Journal of Physical Chemistry B 121 (1), 180-188, 2017 | 46 | 2017 |
| Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems M Callsen, I Hamada Physical Review B 91 (19), 195103, 2015 | 46 | 2015 |
| Graphene Stabilized High-κ Dielectric Y2O3 (111) Monolayer and Their Interfacial Properties YPF Ting Ting Song, Ming Yang, Martin Callsen, Qing Yun Wu, Jun Zhou, Shao ... RSC Advances 5 (102), 83588, 2015 | 42* | 2015 |
| Ab initio and semi-empirical van der Waals study of graphene–boron nitride interaction from a molecular point of view V Caciuc, N Atodiresei, M Callsen, P Lazić, S Bluegel Journal of Physics: Condensed Matter 24 (42), 424214, 2012 | 38 | 2012 |
| Semiempirical van der Waals interactions versus ab initio nonlocal correlation effects in the thiophene-Cu(111) system M Callsen, N Atodiresei, V Caciuc, S Blügel Physical Review B—Condensed Matter and Materials Physics 86 (8), 085439, 2012 | 32 | 2012 |
| Interfacial Interaction between HfO2 and MoS2: From Thin Films to Monolayer M Yang, JW Chai, M Callsen, J Zhou, T Yang, TT Song, JS Pan, DZ Chi, ... The Journal of Physical Chemistry C 120 (18), 9804-9810, 2016 | 30 | 2016 |
| Hybridisation at the organic–metal interface: a surface-scientific analogue of Hückel's rule? H Harutyunyan, M Callsen, T Allmers, V Caciuc, S Blügel, N Atodiresei, ... Chemical Communications 49 (53), 5993-5995, 2013 | 25 | 2013 |
| Tuning Contact Barrier Height between Metals and MoS2 Monolayer through Interface Engineering JW Chai, M Yang, M Callsen, J Zhou, T Yang, Z Zhang, JS Pan, DZ Chi, ... Advanced Materials Interfaces 4 (12), 1700035, 2017 | 23 | 2017 |
| First-principles insights into the electronic and magnetic structure of hybrid organic-metal interfaces P Lazić, V Caciuc, N Atodiresei, M Callsen, S Blügel Journal of Physics: Condensed Matter 26 (26), 263001, 2014 | 19 | 2014 |
| How to verify the precision of density-functional-theory implementations via reproducible and universal workflows E Bosoni, L Beal, M Bercx, P Blaha, S Blügel, J Bröder, M Callsen, ... Nature Reviews Physics 6 (1), 45-58, 2024 | 10 | 2024 |
| Bulk ion-clustering and surface ion-layering effects on work function of self-compensated charged-doped polymer semiconductors MCY Ang, CG Tang, QM Koh, C Zhao, QJ Seah, Y Wang, M Callsen, ... Materials Horizons 7 (4), 1073-1082, 2020 | 10 | 2020 |
| Spectator cation size effect on the work function and stability of self-compensated hole-doped polymers MCY Ang, QM Koh, CG Tang, QJ Seah, Y Wang, M Callsen, YP Feng, ... Journal of Materials Chemistry C 8 (1), 124-131, 2020 | 7 | 2020 |
| Water binding and hygroscopicity in π-conjugated polyelectrolytes CG Tang, MN Syafiqah, QM Koh, MCY Ang, KK Choo, MM Sun, M Callsen, ... Nature Communications 14 (1), 3978, 2023 | 3 | 2023 |
| Structural Reconstruction Modulated Physical Properties of Titanium Oxide at the Monolayer Limit T Yang, K Yang, T Zhu, TT Song, T Bao, J Zhou, SJ Wang, Y Jin, ... The Journal of Physical Chemistry C 127 (11), 5631-5639, 2023 | 2 | 2023 |
| Erratum: Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems [Phys. Rev. B 91, 195103 (2015)] M Callsen, I Hamada Physical Review B 95 (3), 039905, 2017 | 2 | 2017 |
| Anharmonicity in cubic boron arsenide: a machine-learning based force-field study M Callsen, MY Chou Bulletin of the American Physical Society, 2024 | | 2024 |
| Machine learning based force-fields for strongly anharmonic materials M Callsen, MY Chou APS March Meeting Abstracts 2023, D60. 006, 2023 | | 2023 |
