Related papers: 'Divide-and-conquer' semiclassical molecular dynam…
Using a modified WKB approach, we present a rigorous semi-classical analysis for solutions of nonlinear Schroedinger equations with rotational forcing. This yields a rigorous justification for the hydrodynamical system of rotating…
We develop a hybrid semiclassical method to study the time evolution of one dimensional quantum systems in and out of equilibrium. Our method handles internal degrees of freedom completely quantum mechanically by a modified time evolving…
We present a new approach for the analysis of Bose-Einstein condensates in a few mode approximation. This method has already been used to successfully analyze the vibrational modes in various molecular systems and offers a new perspective…
The concept of quasiparticles -- long-lived low-energy particle-like excitations -- has become a keystone of condensed quantum matter, where it explains a variety of emergent many-body phenomena, such as superfluidity and superconductivity.…
The dynamics of a molecule immersed in a superfluid medium are considered. Results are derived using a classical hydrodynamic approach followed by canonical quantization. The classical model, a rigid body immersed in incompressible fluid,…
We study diffusion of colloids on a fluid-fluid interface using particle simulations and fluctuating hydrodynamics. Diffusion on a two-dimensional interface with three-dimensional hydrodynamics is known to be anomalous, with the collective…
This work presents a comprehensive study of the microlocal energy decomposition and propagation of singularities for semiclassically adjusted dissipative pseudodifferential operators. The analysis focuses on the behavior of energy…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
This course introduces the use of semigroup methods in the solution of linear and nonlinear (quasi-linear) hyperbolic partial differential equations, with particular application to wave equations and Hermitian hyperbolic systems. Throughout…
We use the general framework of summation-by-parts operators to construct conservative, energy-stable, and well-balanced semidiscretizations of two different nonlinear systems of dispersive shallow water equations with varying bathymetry:…
The vibrational predissociation of the Ne2Br2(B) van der Waals complex has been investigated using the quasi-classical trajectory method (QCT), in the range of vibrational levels v' = 16-23. Extensive comparison is made with the most recent…
We derive new analytical results for the hydrodynamic force exerted on a sinusoidally oscillating porous shell and a sphere of uniform density in the Stokes limit. The coupling between the spherical particle and the solvent is done using…
The self-organization of clusters of particles is a fundamental phenomenon across various physical systems, including hydrodynamic and colloidal systems. One example is that of dense spherical particles submerged in a fluid and subjected to…
We develop a path-integral dynamics method for water that resembles centroid molecular dynamics (CMD), except that the centroids are averages of curvilinear, rather than cartesian, bead coordinates. The curvilinear coordinates are used…
Stimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water at ambient conditions by means of molecular dynamics (MD)…
A controlled hybridization between full quantum dynamics and semiclassical approaches (mean-field and truncated Wigner) is implemented for interacting many-boson systems. It is then demonstrated how simulating the resulting hybrid evolution…
A semiclassical approach is used to describe the wobbling and chiral motion in even-even and odd-even nuclei The trial function involved in the variational equation for the quantal action is a coherent state for the SU(2 ) group associated…
A multidimensional semiclassical method for calculating tunneling splittings in vibrationally excited states of molecules using Cartesian coordinates is developed. It is an extension of the theory by Mil'nikov and Nakamura [$\textit{ J.…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
The vibrational motion of molecules in dissipative environments, such as solvation and protein molecules, is composed of contributions from both intermolecular and intramolecular modes. The existence of these collective modes introduces…