Related papers: Constraint Molecular Dynamics approach to Fermioni…
We consider energetics and structural properties of a many particle system in one dimension with pairwise contact interactions confined in a parabolic external potential. To render the problem analytically solvable, we use the harmonic…
Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…
Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…
Bohmian mechanics is an interpretation of quantum mechanics that describes the motion of quantum particles with an ensemble of deterministic trajectories. Several attempts have been made to utilize Bohmian trajectories as a computational…
We consider a system of $N\gg 1$ interacting fermionic particles in three dimensions, confined in a periodic box of volume $1$, in the mean-field scaling. We assume that the interaction potential is bounded and small enough. We prove upper…
Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…
From the point of view of statistical mechanics, a full characterisation of a molecular system requires the experimental determination of its possible states, their populations and the respective interconversion rates. Well-established…
The nucleus-nucleus potential is calculated in the frame work of the double folding model (DFM) to obtain the Coulomb barrier parameters (barrier position and height), starting from M3Y-Reid nucleon-nucleon interaction and realistic nuclear…
Fluctuating hydrodynamics based techniques have been developed in recent years for the simulation of Brownian motion of particles. These mesoscale simulation tools are viable approaches for problems where molecular dynamics simulations may…
We formulate the three-body problem in one dimension in terms of the (Faddeev-type) integral equation approach. As an application, we develop a spinless, one-dimensional (1-D) model that mimics three-nucleon dynamics in one dimension. Using…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
We study a fermionic atom optics counterpart of parametric down-conversion with photons. This can be realized through dissociation of a Bose-Einstein condensate of molecular dimers consisting of fermionic atoms. We present a theoretical…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…
We propose a method of simulating efficiently many-body interacting fermion lattice models in trapped ions, including highly nonlinear interactions in arbitrary spatial dimensions and for arbitrarily distant couplings. We map products of…
In this paper, we show that there is a large class of fermionic systems for which it is possible to find, for any dimension, a finite closed set of eigenoperators and eigenvalues of the Hamiltonian. Then, the hierarchy of the equations of…
In order to increase the efficiency of the computer simulation of biological molecules, it is very common to impose holonomic constraints on the fastest degrees of freedom; normally bond lengths, but also possibly bond angles. However, as…
We investigate the dynamics of bound states of two interacting particles, either bosons or fermions, performing a continuous-time quantum walk on a one-dimensional lattice. We consider the situation where the distance between both particles…
Within the framework of Fermionic Molecular Dynamics a method is developed to better account for long range tensor correlations in nuclei when working with a single Slater determinant. Single-particle states with mixed isospin and broken…
We formulate the physics of two species of non-relativistic hard-core bosons with attractive or repulsive delta function interactions on a space-time lattice in the worldline approach. We show that worm algorithms can efficiently sample the…