Publications by authors named "Sindhana Pannir-Sivajothi"

Topological insulators are insulators in the bulk but feature chiral energy propagation along the boundary. This property is topological in nature and therefore robust to disorder. Originally discovered in electronic materials, topologically protected boundary transport has since been observed in many other physical systems.

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Interaction between light and molecular vibrations leads to hybrid light-matter states called vibrational polaritons. Even though many intriguing phenomena have been predicted for single-molecule vibrational strong coupling (VSC), several studies suggest that these effects tend to be diminished in the many-molecule regime due to the presence of dark states. Achieving single or few-molecule vibrational polaritons has been constrained by the need for fabricating extremely small mode volume infrared cavities.

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Strong coupling between electronic excitations in materials and photon modes results in the formation of polaritons, which display larger nonlinearities than their photonic counterparts due to their material component. We theoretically investigate how to optically control the topological properties of molecular and solid-state exciton-polariton systems by exploiting one such nonlinearity: saturation of electronic transitions. We demonstrate modification of the Berry curvature of three different materials when placed within a Fabry-Perot cavity and pumped with circularly polarized light, illustrating the broad applicability of our scheme.

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When molecular transitions strongly couple to photon modes, they form hybrid light-matter modes called polaritons. Collective vibrational strong coupling is a promising avenue for control of chemistry, but this can be deterred by the large number of quasi-degenerate dark modes. The macroscopic occupation of a single polariton mode by excitations, as observed in Bose-Einstein condensation, offers promise for overcoming this issue.

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We report phase separation and liquid-crystal ordering induced by scalar activity in a system of soft repulsive spherocylinders (SRSs) of shape anisotropy L/D=5 using molecular dynamics (MD) simulations. Activity is introduced by increasing the temperature of half of the SRSs (labeled hot) while maintaining the temperature of the other half constant at a lower value (labeled cold). The difference between the two temperatures scaled by the lower temperature provides a measure of the activity.

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We present a method based on the two-phase thermodynamic model (2PT) to calculate the entropy and free energy of various molecular systems in two dimensions (2D) using molecular dynamics (MD) simulations. The 2PT method has been used widely to calculate absolute entropy in a variety of molecular systems in three dimensions. When applying the idea to 2D systems, we found that the fluidicity that determines the decomposition of the vibrational density of states (DoS) into a solidlike and a gaslike component needs to be revised.

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