45 citations · 54 across the 4 of their papers we have counts for
4 papers
Speeding-up Hybrid Functional based Ab Initio Molecular Dynamics using Multiple Time-stepping and Resonance Free Thermostat
Ritama Kar, Sagarmoy Mandal, Vaishali Thakkur +2
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems.…
Volkov-Pankratov states in a 2d material: excited states of a structural soliton
S. Theil, R. Gupta, F. Wullschlaeger +3
We show that partial dislocations, defects that naturally arise in bilayer graphene, host an analogue of the mass inversion Volkov-Pankratov (VP) states, the spectrum of excited st…
A general relation between stacking order and Chern index: a topological map of minimally twisted bilayer graphene
S. Theil, M. Fleischmann, R. Gupta +4
We derive a general relation between the stacking vector describing the relative shift of two layers of bilayer graphene and the Chern index. We find $C = ν- \text{sign}\…
Perfect and controllable nesting in the small angle twist bilayer graphene
Maximilian Fleischmann, Reena Gupta, Florian Wullschläger +5
Parallel ("nested") regions of a Fermi surface (FS) drive instabilities of the electron fluid, for example the spin density wave in elemental chromium. In one-dimensional materials…