Related papers: 'Divide-and-conquer' semiclassical molecular dynam…
The dominantly orbital state method allows a semiclassical description of quantum systems. At the origin, it was developed for two-body relativistic systems. Here, the method is extended to treat two-body Hamiltonians and systems with three…
We study the evolution of a two component fluid consisting of ``blue'' and ``red'' particles which interact via strong short range (hard core) and weak long range pair potentials. At low temperatures the equilibrium state of the system is…
We present a new high-resolution, non-oscillatory semi-discrete central-upwind scheme for one-dimensional two-layer shallow-water flows with friction and entrainment along channels with arbitrary cross sections and bottom topography. These…
The dynamics of water molecules plays a vital role in understanding water. We combined computer simulation and deep learning to study the dynamics of H-bonds between water molecules. Based on ab initio molecular dynamics simulations and a…
This study investigates the clustering behaviour and surface distributions of buoyant particles at the air-water interface in open-channel turbulent flow, focusing on the interplay between capillary attraction, hydrodynamic drag, and…
Quantum-dynamical full-dimensional (15D) calculations are reported for the protonated water dimer (H5O2+) using the multiconfiguration time-dependent Hartree (MCTDH) method. The dynamics is described by curvilinear coordinates. The…
For nonlinear hyperbolic systems of conservation laws in one space variable, we establish the existence of nonclassical entropy solutions exhibiting nonlinear interactions between shock waves with strong strength. The proposed theory is…
To describe multiple interacting fragmentation continua, we develop a method in which the vibrational channel functions obey outgoing wave Siegert boundary conditions. This paper demonstrates the utility of the Siegert approach, which uses…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
The physical nature of a frequency shift of hydrogen valence vibrations in a water molecule due to its interaction with neighbor molecules has been studied. Electrostatic forces connected with the multipole moments of molecules are supposed…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
Microorganisms are able to overcome the thermal randomness of their surroundings by harvesting energy to navigate in viscous fluid environments. In a similar manner, synthetic colloidal microswimmers are capable of mimicking complex…
We develop a semiclassical framework for studying quantum particles constrained to curved surfaces using the momentous quantum mechanics formalism, which extends classical phase-space to include quantum fluctuation variables (moments). In a…
In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data…
Metamaterials and photonic/phononic crystals have been successfully developed in recent years to achieve advanced wave manipulation and control, both in electromagnetism and mechanics. However, the underlying concepts are yet to be fully…
We show that a two-dimensional system of flocking microswimmers interacting hydrodynamically can be expressed using a Hamiltonian formalism. The Hamiltonian depends strictly on the angles between the particles and their swimming…
In order to asses the effect of hydrodynamics in the assembly of active attractive spheres, we simulate a semi-dilute suspension of attractive self-propelled spherical particles in a quasi two dimensional geometry comparing the case with…
We present a numerical method to deal efficiently with large numbers of particles in incompressible fluids. The interactions between particles and fluid are taken into account by a physically motivated ansatz based on locally defined drag…
We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…
Using the phase-space formulation of quantum mechanics, we derive a four-component Wigner equation for a system composed of spin-1/2 fermions (typically, electrons) including the Zeeman effect and the spin-orbit coupling. This Wigner…