Related papers: Length Dependence of Ionization Potentials of Tran…
We discuss the dynamic behavior of a tagged particle close to a classical localization transition in the framework of the mode-coupling theory of the glass transition. Asymptotic results are derived for the order parameter as well as the…
In this paper, the ionization and recombination coefficients of dense semiclassical hydrogen plasma on the basis of the effective interaction potential have been investigated. For this goal the Bohr$-$Lindhard method and method phase…
We study the dynamics of a single Frenkel exciton in a disordered molecular chain. The coherent-potential approximation (CPA) is applied to the situation when the single-molecule excitation energies as well as the transition dipole moments,…
The present work explores quantitative limits to the Single-Active Electron (SAE) approximation, often used to deal with strong-field ionization and subsequent attosecond dynamics. Using a time-dependent multi\-configuration approach,…
Band structures of electrons in a periodic potential are well-known to host topologies that impact their behaviors at edges and interfaces. The concept however is more general than the single-electron setting. In this work, we consider…
Motivated by recent experiments showing over $10^4$-fold increase in induced polarization from electrochemically inert, conducting materials in dilute saline solutions, we theoretically demonstrate a new mechanism for dielectric…
We study theoretically the length dependence of both conductance and thermopower in metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold electrodes. We find that while the conductance decays exponentially…
Trapped ions are a promising technology for building scalable quantum computers. Not only can they provide a high qubit quality, but they also enable modular architectures, referred to as Quantum Charge Coupled Device (QCCD) architecture.…
We theoretically propose a polymer-based nano-device consisting of a single trans-polyacetylene (tPA) molecule capacitively coupled to external voltage gates. We model the integrated device using a Su-Schrieffer-Heeger (SSH)-like…
The quasiparticle (QP) energies, which are minus of the energies required by removing or produced by adding one electron from/to the system, corresponding to the photoemission or inverse photoemission (PE/IPE) spectra, are determined…
We explore the dependence of electrical transport in a graphene field effect transistor (GraFET) on the flow of the liquid within the immediate vicinity of that transistor. We find large and reproducible shifts in the charge neutrality…
Accurate and scalable machine-learned inter-atomic potentials (MLIPs) are essential for molecular simulations ranging from drug discovery to new material design. Current state-of-the-art models enforce roto-translational symmetries through…
Linear ion trap chains are a promising platform for quantum computation and simulation. The XY model with long-range interactions can be implemented with a single side-band Molmer-Sorensen scheme, giving interactions that decay as…
Biologically functional liquid-liquid phase separation of intrinsically disordered proteins (IDPs) is driven by interactions encoded by their amino acid sequences. Little is currently known about the molecular recognition mechanisms for…
We consider a system composed of a trapped atom and a trapped ion. The ion charge induces in the atom an electric dipole moment, which attracts it with an r^{-4} dependence at large distances. In the regime considered here, the…
Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…
Self-assembly of polymers at liquid interfaces using non-covalent interactions has emerged as a promising technique to reversibly produce self-healing membranes. Besides the assembly process, it is also crucial to control the mechanical…
We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and require computational time that remains constant with…
We present infrared spectra (0.1-1 eV) of electrostatically gated bilayer graphene as a function of doping and compare it with tight binding calculations. All major spectral features corresponding to the expected interband transitions are…
Quantum networking links quantum processors through remote entanglement for distributed quantum information processing (QIP) and secure long-range communication. Trapped ions are a leading QIP platform, having demonstrated universal…