Related papers: A Review of Wave Packet Molecular Dynamics
Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…
The advancement of millimeter wave and terahertz technologies have revolutionized high speed wireless networks and precise tracking systems. These technologies offer unique penetration capabilities in specific scenarios, significantly…
Dissipative particle dynamics (DPD) is a relatively new technique which has proved successful in the simulation of complex fluids. We caution that for the equilibrium achieved by the DPD simulation of a simple fluid the temperature depends…
Warm dense matter--an exotic, highly compressed state on the boarder between solid and plasma phases is of high current interest, in particular for compact astrophysical objects, high pressure laboratory systems, and inertial confinement…
The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…
A variety of models for the membrane-mediated interaction of particles in lipid membranes, mostly well-established in theoretical physics, is reviewed from a mathematical perspective. We provide mathematically consistent formulations in a…
Warm dark matter (WDM) is an intriguing model of structure formation from the point of view of both cosmology and particle physics. We consider a one-parameter family of WDM models. The linear power spectra for these models is calculated…
The empirical wavelet transform is a data-driven time-scale representation consisting of an adaptive filter bank. Its robustness to data has made it the subject of intense developments and an increasing number of applications in the last…
High-fidelity quantum dynamics emulators can be used to predict the time evolution of complex physical systems. Here, we introduce an efficient training framework for constructing machine learning-based emulators. Our approach is based on…
Dusty plasma medium turns out to be an ideal system for studying the strongly coupled behavior of matter. The large size and slow response make their dynamics suitable to be captured through simple diagnostic tools. Furthermore, as the…
The physical processes at the interface of a low-temperature plasma and a solid are extremely complex. They involve a huge number of elementary processes in the plasma, in the solid as well as charge, momentum and energy transfer across the…
Wavelet analysis and compression tools are reviewed and different applications to study MHD and plasma turbulence are presented. We introduce the continuous and the orthogonal wavelet transform and detail several statistical diagnostics…
A non-Markovian master equation for a molecule interacting with a heat bath is obtained using the cumulant expansion method. The equation is applied to the problem of molecular wave packet relaxtional dynamics. An exact solution is derived…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
Warm dense matter (WDM) -- an exotic state of highly compressed matter -- has attracted high interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat…
It is often difficult to quantitatively determine if a new molecular simulation algorithm or software properly implements sampling of the desired thermodynamic ensemble. We present some simple statistical analysis procedures to allow…
We propose a method for arbitrary manipulations of a quantum wavepacket in an optical lattice by a suitable modulation of the lattice amplitude. A theoretical model allows to determine the modulation corresponding to a given wavepacket…
Molecular dynamics simulations are typically constrained to have a fixed number of particles, which limits our capability to simulate chemical and physical processes where the composition of the system changes during the simulation time.…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Quantum plasma physics is a rapidly evolving research field with a very inter-disciplinary scope of potential applications, ranging from nano-scale science in condensed matter to the vast scales of astrophysical objects. The theoretical…