Related papers: A Semiclassical Model for Molecular Localization i…
We uncover the interaction-induced \emph{stable self-localization} of bosons in disorder-free superlattices. In these nonthermalized multi-particle states, one of the particles forms a superposition of multiple standing waves, so that it…
Systems with long range interactions display some anomalies when its dynamics and thermodynamics are studied below certain conditions. Among these anomalies are the quasi- stationary states, which are exacerbated because of special initial…
A molecule traveling in a realistic propagation environment can experience stochastic interactions with other molecules and the environment boundary. The statistical behavior of some isolated phenomena, such as dilute unbounded molecular…
We introduce two partially overlapping classes of pathwise dualities between interacting particle systems that are based on commutative monoids (semigroups with a neutral element) and semirings, respectively. For interacting particle…
Solid-state cooling using barocaloric materials is a promising avenue for eco-friendly, inexpensive and highly efficient cooling. To design barocaloric compounds ready for deployment, it is essential to understand their thermodynamic…
We study the quantum-classical correspondence of an experimentally accessible system of interacting bosons in a tilted triple-well potential. With the semiclassical analysis, we get a better understanding of the different phases of the…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
Semi-empirical molecular dynamics is used to simulate several gaseous atomic hydrogen interactions with hydrocarbon grains in space: recoil, adsorption, diffusion, chemisorption and recombination into molecular hydrogen. Their probabilities…
Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals inter-molecular interactions. These lead to an…
We study the exact solutions of the cascade three-level atom interacting with a single mode classical and quantized field with different initial conditions of the atom. For the semiclassical model, it is found that if the atom is initially…
Particle-particle interactions in sedimenting systems have been investigated in the present study considering the many-body hydrodynamic and electrodynamic interactions. These interactions primarily occur in two modes: near-field and…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
The problems of the intermediate-range atomic structure of glasses and of the mechanism for the glass transition are approached from the low-temperature end in terms of a scenario for the atomic organization that justifies the use of an…
In this work we show that a relativistic spinning particle can be described at the classical and the quantum level as being composed of two physical constituents which are entangled and separated by a fixed distance. This bilocal model for…
Twinning is an important deformation mode in plastically deformed hexagonal close-packed materials. The extremely high twin growth rates at the nanoscale make atomistic simulations an attractive method for investigating the role of…
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…
We present a formalism that enables the analytic calculation of the interaction of a spin-half particle with a polychromatic electromagnetic field. This powerful new approach provides a clear physical picture even for cases with highly…
We show that atoms or molecules subject to fields that couple their internal and translational (momentum) states may undergo a crossover from randomization (diffusion) to strong localization (sharpening) of their momentum distribution. The…
We present a novel method for the simulation of the vibration-induced autoionization dynamics in molecular anions in the framework of the quantum-classical surface hopping approach. Classical trajectories starting from quantum initial…
We study the classical mechanics and dynamics of particles that retains some memory of quantum statistics. Our work builds on earlier work on the statistical mechanics and thermodynamics of such particles. Starting from the effective…