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In double quantum dot singlet-triplet qubits, the exchange interaction is used in both quantum gate operation and the measurement of the state of the qubit. The exchange can be controlled electronically by applying gate voltage pulses. We…
We study the intensity-intensity correlations of the radiation emitted on probe transition in a three level cascade electromagnetically induced transparency (EIT) scheme. By applying an incoherent pump, we also monitor further changes in…
We demonstrate nonadiabatic Thouless pumping of electrons in trans-polyacetylene in the framework of Floquet engineering using first-principles theory. We identify the regimes in which the quantized pump is operative with respect to the…
Excited-state intramolecular proton transfer (ESIPT) is a fundamental photochemical process in which photoexcitation induces proton transfer within a molecule, leading to the formation of a tautomeric excited state. It was observed…
A new computational scheme to analyze electron transfer (ET) pathways in large biomolecules is presented with applications to ETs in bacterial photosynthetic reaction center. It consists of a linear combination of fragment molecular…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
The hydrated electron ($e_{aq}^-$), a key species in radiation chemistry, is traditionally modeled as an interior electron confined within a solvent cavity and stabilized by electrostatic interactions. However, this picture fails to account…
We have performed first-principles calculations for the mechanic and electric properties of pure Pt nano-contacts and a Pt contact with a single CO molecule adsorbed. For the pure Pt contacts we see a clear difference between point contacts…
We have theoretically investigated the time-evolution of electron transport from a two-dimensional electron system (2DES) to a quantum dot (QD). We clearly showed that the coherent electron transport is remarkably modified depending on the…
Single-wall carbon nanotubes are almost ideal systems for the investigation of exotic many-body effects due to non-Fermi liquid behavior of interacting electrons in one dimension. Recent theoretical and experimental results are reviewed…
The transient behaviour of organic electrochemical transistors (OECT) is complex due to mixed ionic-electronic properties that play a central role in bioelectronics, sensing and neuromorphic applications. We investigate the impedance…
So far transport properties of nanoscale contacts have been mostly studied within the static scattering approach. The electron dynamics and the transient behavior of current flow, however, remain poorly understood. We present a numerical…
Electron switching in waveguides coupled to a photon cavity is found to be strongly influenced by the photon energy and polarization. Therefore, the charge dynamics in the system is investigated in two different regimes, for off- and…
Critical opalescence is a characteristic experimental signature of a second order phase transition in solid state physics. A new, experimentally accessible measure of opacity and of attenuation length in heavy ion reactions is suggested, as…
Energy-changing electron-hydrogen atom collisions are crucial to regulating the energy balance in astrophysical and laboratory plasmas and relevant to the formation of stellar atmospheres, recombination in H-II clouds, primordial…
We report an extensive theoretical study of the protonated water dimer (Zundel ion) by means of the highly correlated variational Monte Carlo and lattice regularized Monte Carlo approaches. This system represents the simplest model for…
We present measurements on a quantum dot and a nearby, capacitively coupled, quantum point contact used as a charge detector. With the dot being weakly coupled to only a single reservoir, the transfer of individual electrons onto and off…
Excitation energy transfer (EET) in an organic/inorganic nanohybrid system, composed of a single \textit{para}-sexiphenyl (6P) molecule physisorbed on a finite-sized MoS$_2$ nanoflake, is investigated theoretically. % The electronic…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
We introduce an event-by-event pQCD + saturation + hydro ("EKRT") framework for high-energy heavy-ion collisions, where we compute the produced fluctuating QCD-matter energy densities from next-to-leading order (NLO) perturbative QCD (pQCD)…