相关论文: Exact Potential Energy Surface for Molecules in Ca…
Liquid transport through nanopore is central into many applications, from water purification to biosensing or energy harvesting. Ultimately thin nanopores are of major interest in these applications to increase driving potential and reduce…
Strong light-matter coupling within an optical cavity leverages the collective interactions of molecules and confined electromagnetic fields, giving rise to the possibilities of modifying chemical reactivity and molecular properties. While…
Lowered symmetry enables access to a wide set of responses not typically accessible in high symmetry materials. Prime examples are time-reversal forbidden quantum geometric photocurrent responses (e.g., linear injection and circular shift…
In this work we investigate the effects that multi-mode photonic environments, e.g., optical cavities, have on the properties of quantum matter. We highlight the importance of the non-perturbative mass renormalization procedure for ab…
Based on the fluctuation-electromagnetic theory, we have calculated the retarded force of attraction, frictional moment and heating rate of a neutral particle rotating near a polarizable surface. The particle and surface are characterized…
We report molecular dynamics simulation studies addressing the effects of pore connectivity on the dynamics of two representative fluids CO$_2$ and ethane in silicalite by systematically varying the degree of pore connectivity through…
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…
The coherent strong coupling of molecules with confined light fields to create polaritons - part matter, part light - is opening exciting opportunities ranging from extended exciton transport and inter-molecular energy transfer to modified…
Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods that incorporate the effects of the electrolyte environment…
Molecular polaritons arise when molecules interact so strongly with light that they become entangled with each other. This light-matter hybridization alters the chemical and physical properties of the molecular system and allows chemical…
Many active particles, both of biological and synthetic origin, can have a light controllable propulsion speed, a property that in biology is commonly referred to as photokinesis. Here we investigate directed transport of photokinetic…
Transport properties of degenerate relativistic electrons along quantizing magnetic fields in neutron star crusts are considered. A kinetic equation is derived for the spin polarization density matrix of electrons. Its solution does not…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
Exciton-polaritons in semiconductor microcavities have advanced to become a model system for studying dynamical Bose-Einstein condensation, macroscopic coherence, many-body effects, nonclassical states of light and matter, and possibly…
We study the fluctuation-induced dissipative dynamics of the quantized center of mass motion of a polarizable dielectric particle trapped near a surface. The particle's center of mass is treated as an open quantum system coupled to the…
We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wavefunctions that lead…
In this work, we study the scattering of a spinless charged particle constrained to move on a curved surface in the presence of the Aharonov-Bohm potential. We begin with the equations of motion for the surface and transverse dynamics…
Transport properties of particles and waves in spatially periodic structures that are driven by external time-dependent forces manifestly depend on the space-time symmetries of the corresponding equations of motion. A systematic analysis of…
For the first time, we have studied the impact of magnetic polarizability of a neutral metallic particle on the dynamical Casimir-Polder force, when the particle is uniformly moving with relativistic velocity parallel to the surface of an…
We calculate analytically the exact dynamical response of a droplet of N interacting electrons in a quantum dot with an arbitrarily time-dependent parabolic confinement potential \omega(t) and a perpendicular magnetic field. We find that,…