Light‐induced switching of tunable single‐molecule junctions T Sendler, K Luka‐Guth, M Wieser, Lokamani, J Wolf, M Helm, ...
Advanced Science 2 (5), 1500017, 2015
73 2015 Tuning the formation of discrete coordination nanostructures J Meyer, A Nickel, R Ohmann, C Toher, DA Ryndyk, Y Garmshausen, ...
Chemical Communications 51 (63), 12621-12624, 2015
31 2015 Switchable negative differential resistance induced by quantum interference effects in porphyrin-based molecular junctions D Nozaki, Lokamani, A Santana-Bonilla, A Dianat, R Gutierrez, ...
The Journal of Physical Chemistry Letters 6 (19), 3950-3955, 2015
30 2015 Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel ZA Moldabekov, M Lokamani, J Vorberger, A Cangi, T Dornheim
The Journal of Physical Chemistry Letters 14 (5), 1326-1333, 2023
25 2023 Demonstration of an x-ray Raman spectroscopy setup to study warm dense carbon at the high energy density instrument of European XFEL K Voigt, M Zhang, K Ramakrishna, A Amouretti, K Appel, E Brambrink, ...
Physics of Plasmas 28 (8), 2021
24 2021 Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons ZA Moldabekov, M Lokamani, J Vorberger, A Cangi, T Dornheim
The Journal of Chemical Physics 158 (9), 2023
20 2023 Electrical conductivity of iron in Earth's core from microscopic Ohm's law K Ramakrishna, M Lokamani, A Baczewski, J Vorberger, A Cangi
Physical Review B 107 (11), 115131, 2023
19 2023 Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen ZA Moldabekov, J Vorberger, M Lokamani, T Dornheim
The Journal of Chemical Physics 159 (1), 2023
15 2023 Magnetization processes and magnetic domain structure in weakly coupled GdCo/Si/Co trilayers A Svalov, L Lokamani, R Schaefer, V Vas’kovskiy, G Kurlyandskaya
Journal of alloys and compounds 615, S366-S370, 2014
10 2014 Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron S Nikolov, J Tranchida, K Ramakrishna, M Lokamani, A Cangi, MA Wood
Journal of Materials Science 57 (23), 10535-10548, 2022
9 2022 Molecules for organic electronics studied one by one J Meyer, A Wadewitz, C Toher, R Gresser, K Leo, M Riede, F Moresco, ...
Physical Chemistry Chemical Physics 13 (32), 14421-14426, 2011
7 2011 Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory K Ramakrishna, M Lokamani, A Baczewski, J Vorberger, A Cangi
Electronic Structure 5 (4), 045002, 2023
6 2023 Electrical and thermal conductivity of high-pressure solid iron K Ramakrishna, M Lokamani, A Baczewski, J Vorberger, A Cangi
arXiv e-prints, arXiv: 2210.10132, 2022
5 2022 Transferable interatomic potential for aluminum from ambient conditions to warm dense matter S Kumar, H Tahmasbi, K Ramakrishna, M Lokamani, S Nikolov, ...
Physical Review Research 5 (3), 033162, 2023
4 2023 A combined experimental and theoretical study of 1, 4-bis (phenylethynyl)-2, 5-bis (ethoxy) benzene adsorption on Au (111) Lokamani, J Kelling, R Ohmann, J Meyer, T Kühne, G Cuniberti, J Wolf, ...
Surface Science 712, 121877, 2021
3 2021 Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au (111) using high-throughput simulations Lokamani, J Kelling, R Ohmann, J Meyer, T Kühne, G Cuniberti, J Wolf, ...
Scientific Reports 11 (1), 1-9, 2021
3 2021 HELIPORT: A Portable Platform for {FAIR Workflow| Metadata| Scientific Project Lifecycle} Management and Everything O Knodel, M Voigt, R Ufer, D Pape, M Lokamani, SE Müller, T Gruber, ...
Proceedings of the 4th International Workshop on Practical Reproducible …, 2020
3 2020 Ab initio insights on the ultrafast strong-field dynamics of anatase SL SB, Lokamani, K Ramakrishna, A Cangi, D Murali, M Posselt, ...
Physical Review B 108 (19), 195149, 2023
2 2023 Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions M Lokamani, F Kilibarda, F Günther, J Kelling, A Strobel, P Zahn, ...
The Journal of Physical Chemistry Letters 14 (24), 5709-5717, 2023
2 2023 Probing iron in Earth’s core with molecular-spin dynamics S Nikolov, K Ramakrishna, A Rohskopf, M Lokamani, J Tranchida, ...
Proceedings of the National Academy of Sciences 121 (51), e2408897121, 2024
1 2024 