Related papers: Path Integral Methods in Atomistic Modelling: An I…
Path integrals are a central tool when it comes to describing quantum or thermal fluctuations of particles or fields. Their success dates back to Feynman who showed how to use them within the framework of quantum mechanics. Since then, path…
The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practicaltechniques for the simulation of solids. Monte Carlo and molecular dynamics methods for…
Atomistic modeling is a widely employed theoretical method of computational materials science. It has found particular utility in the study of magnetic materials. Initially, magnetic empirical interatomic potentials or spin-polarized…
We developed a path integral formalism for the quantum mechanics in a rotating reference of frame, and proposed a spin path integral description for the spin degrees of freedom in it. We have also give some examples for the applications of…
This paper describes an algorithm of interest. This is a preliminary version and we intend on writing a better descripition of it and getting bounds for its complexity.
The scope of this work is to provide a self-contained introduction to a selection of basic theoretical aspects in the modeling and control of quantum mechanical systems, as well as a brief survey on the main approaches to control synthesis.…
This paper provides a tutorial discussion on path analysis structure with concept of structural equation modelling (SEM). The paper delivers an introduction to path analysis technique and explain to how to deal with analyzing the data with…
Trapped Bosons exhibit fundamental physical phenomena and are potentially useful for quantum technologies. We present a method for simulating Bosons using path integral molecular dynamics. A main challenge for simulations is including all…
Phase-space path-integrals are used in order to illustrate various aspects of a recently proposed interpretation of quantum mechanics as a gauge theory of metaplectic spinor fields.
These notes are intended to provide a brief primer in plasma physics, introducing common definitions, basic properties, and typical processes found in plasmas. These concepts are inherent in contemporary plasma-based accelerator schemes,…
The path integral formulation of constrained systems leads to obtain the equations of motion as total differential equations in many variables. If these equations are integrable then one can constuct a valid and a canonical phase space…
The solubility of a general two dimensional model, which reduces to various models in different limits, is studied within the path integral formalism. Various subtleties and interesting features are pointed out.
Any particular classical system and its quantum version are normally viewed as separate formulations that are strictly distinct. Our goal is to overcome the two separate languages and create a smooth and common procedure that provides a…
Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Modeling the wave nature of light and the propagation and diffraction of electromagnetic fields is crucial for the accurate simulation of many phenomena, yet wave simulations are significantly more computationally complex than classical…
This limited review is intended as an introduction to the fast growing subject of mathematical modelling of cell metabolism and its biochemical pathways, and more precisely on pathways linked to apoptosis of cancerous cells. Some basic…
Mathematical models are an important tool for neuroscientists. During the last thirty years many papers have appeared on single neuron description and specifically on stochastic Integrate and Fire models. Analytical results have been proved…