102 citations · 127 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2022
Dielectric properties of nanoconfined water from ab initio thermopotentiostat molecular dynamics
F. Deißenbeck, S. Wippermann
We discuss how to include our recently proposed thermopotentiostat technique [Phys. Rev. Lett. 126, 136803 (2021)] into any existing ab initio molecular dynamics (AIMD) package. Us…
cond-mat.mtrl-sci2020
Dual nature of localized phase defects in the In/Si(111) atomic wire array: impurities and short topological solitons
Abdus Samad Razzaq, Sun Kyu Song, Tae-Hwan Kim +2
We demonstrate the existence of atomically-sized topological solitons in a quasi one-dimensional charge density wave system: indium atomic wires on Si(111). Performing joint scanni…
cond-mat.mtrl-sci2020★ 102 cited
Dielectric properties of nano-confined water: a canonical thermopotentiostat approach
F. Deißenbeck, C. Freysoldt, M. Todorova +2
We introduce a novel approach to sample the canonical ensemble at constant temperature and applied electric potential. Our approach can be straightforwardly implemented into any de…