Related papers: Molecular Dynamics for Fermions
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments. Firstly, we make a case for the systematic study of fundamental…
Warm dense matter systems created in the laboratory are highly dynamical. In such cases electron dynamics is often needed to accurately simulate the evolution and properties of the system. Large systems force one to make simple…
Lack of knowledge about the detailed many-particle motion on the microscopic scale is a key issue in any theoretical description of a macroscopic experiment. For systems at or close to thermal equilibrium, statistical mechanics provides a…
The general notion of distance dependent statistics in anyon-like systems is discussed. The two-body problem for such statistics is considered, the general formula for the second virial coefficient is derived and it is shown that in the…
Within one-dimensional disordered models of interacting fermions we perform a numerical study of several dynamical density correlations, which can serve as hallmarks of the transition to the many-body localized state. Results confirm that…
We investigate the influence of thermally activated internal molecular dynamics on the phase shifts of matter waves inside a molecule interferometer. While de Broglie physics generally describes only the center-of-mass motion of a quantum…
The conformational change of biological macromolecule is investigated from the point of quantum transition. A quantum theory on protein folding is proposed. Compared with other dynamical variables such as mobile electrons, chemical bonds…
An extended variational principle providing the equations of motion for a system consisting of interacting classical, quasiclassical and quantum components is presented, and applied to the model of bilinear coupling. The relevant dynamical…
We introduce a new discrete-time variational principle inspired by the quantum clock originally proposed by Feynman, and use it to write down quantum evolution as a ground state eigenvalue problem. The construction allows one to apply…
We review theoretical models of individual motility as well as collective dynamics and pattern formation of active particles. We focus on simple models of active dynamics with a particular emphasis on nonlinear and stochastic dynamics of…
In this paper we derived a model based on general assumptions and allowed us to derive some important thermodynamic functions that are time-dependent, also we could see the behavior of these functions by surfaces. The model is based on…
Within Fermionic Molecular Dynamics (FMD) a quantal nuclear system with only 16 nucleons shows a clearly visible liquid-gas phase transition. The FMD model is an approximation to the many-body problem which describes the system by…
We propose a variational formulation for the nonequilibrium thermodynamics of discrete open systems, i.e., discrete systems which can exchange mass and heat with the exterior. Our approach is based on a general variational formulation for…
The model quantum system of fermions in a one dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in…
We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave…
We present a rigorous and efficient approach to the calculation of classical lattice-dynamical quantities from simulations that do not require an explicit solution of the time evolution. We focus on the temperature-dependent vibrational…
A quantum model on the chemically and physically induced pluripotency in stem cells is proposed. Based on the conformational Hamiltonian and the idea of slow variables (molecular torsions) slaving fast ones the conversion from the…
We extend the time-dependent variational principle to the setting of dissipative dynamics. This provides a locally optimal (in time) approximation to the dynamics of any Lindblad equation within a given variational manifold of mixed states.…
Explaining quantum many-body dynamics is a long-held goal of physics. A rigorous operator algebraic theory of dynamics in locally interacting systems in any dimension is provided here in terms of time-dependent equilibrium (Gibbs)…
Complex microscopic many-body processes are often interpreted in terms of so-called `reaction coordinates', i.e. in terms of the evolution of a small set of coarse-grained observables. A rigorous method to produce the equation of motion of…