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Journal of Chemical Theory and Computation|November 26, 2015
Atomistic Simulations of the ZnO(12̅10)/Water Interface: A Comparison between First-Principles, Tight-Binding, and Empirical MethodsSvea Große Holthaus, Susan Köppen, Thomas Frauenheim, et al.
The Journal of Physical Chemistry. B|August 30, 2008
Effect of polarization on the opsin shift in rhodopsins. 2. Empirical polarization models for proteinsMarius Wanko, Michael Hoffmann, Jan Frähmcke, et al.
Nanoscale|March 7, 2013
Emergent properties and trends of a new class of carbon nanocomposites: graphene nanoribbons encapsulated in a carbon nanotubeLiangzhi Kou, Chun Tang, Tim Wehling, et al.
The Journal of Chemical Physics|June 23, 2014
Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: a comparison between density functional theory and density functional tight binding resultsSvea grosse Holthaus, Susan Köppen, Thomas Frauenheim, et al.
Nanoscale|December 24, 2016
Two-dimensional hydrogenated molybdenum and tungsten dinitrides MN2H2 (M = Mo, W) as novel quantum spin hall insulators with high stabilityPeng-Fei Liu, Liujiang Zhou, Thomas Frauenheim, et al.
The Journal of Physical Chemistry Letters|November 23, 2022
Intrinsic Ferroelectric Quantum Spin Hall Insulator in Monolayer Na3Bi with Surface TrimerizationYan Liang, Fulu Zheng, Pei Zhao, et al.
Nanoscale|June 3, 2014
Opening a band gap without breaking lattice symmetry: a new route toward robust graphene-based nanoelectronicsLiangzhi Kou, Feiming Hu, Binghai Yan, et al.
Nanoscale|February 16, 2016
New quantum spin Hall insulator in two-dimensional MoS2 with periodically distributed poresPeng-Fei Liu, Liujiang Zhou, Thomas Frauenheim, et al.
Nano Letters|February 9, 2026
Asymmetric Spin Canting and Demagnetization Dynamics Driven by Laser Fields in Two-Dimensional AltermagnetsShuo Li, Ran Wang, Thomas Frauenheim, et al.
Nano Letters|May 17, 2021
Electric Field Tunable Ultrafast Interlayer Charge Transfer in Graphene/WS2 HeterostructureYuxiang Liu, Jin Zhang, Sheng Meng, et al.
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