相关论文: The Coupled Electron-Ion Monte Carlo Method

A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…

A simple technique is proposed for numerically determining equilibrium ion distribution functions belonging to free energies of the Poisson-Boltzmann type. The central idea is to perform a conventional Monte-Carlo simulation using the free…

Hybrid light-matter polaritonic states have shown great promise for altering already known and enabling novel chemical reactions and controlling photophysical phenomena. This field has recently become one of the most prominent and active…

This article provides an introduction to the principles of particle physics event generators that are based on the Monte Carlo method. Following some preliminaries, instructions on how to build a basic parton-level Monte Carlo event…

We present a discussion of recent progress in excited-state-specific quantum chemistry and quantum Monte Carlo alongside a demonstration of how a combination of methods from these two fields can offer reliably accurate excited state…

We use Monte Carlo approach to study the energetics of electrons accelerated in a pulsar polar gap. As energy-loss mechanisms we consider magnetic Compton scattering of thermal X-ray photons and curvature radiation. The results are compared…

By Using the variational Monte Carlo (VMC) method, we calculate the 1s{\sigma}_g state energies, the dissociation energies and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field…

Application of the convergent close-coupling (CCC) method to electron-impact ionization of the ground state of atomic hydrogen is considered at incident energies of 15.6, 17.6, 20, 25, 27.2, 30, 54.4, 150 and 250 eV. Total through to fully…

A unified theory for the current through a nanoscale region of interacting electrons connected to two leads which can be either ferromagnet or superconductor is presented, yielding Meir-Wingreen-type formulas when applied to specific…

Quantum Monte Carlo (QMC) methods can very accurately compute ground state properties of quantum systems. We applied these methods to a system of boson hard spheres to get exact, infinite system size results for the ground state at several…

Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…

We present studies of electron identification (eID) in the MPD experiment at NICA using machine learning techniques. The goal is to improve electron identification efficiency while preserving high purity, which is crucial for dielectron…

The basic notions of vacuum technology for ion sources are presented, with emphasis on pressure profile calculation and choice of pumping technique. A Monte Carlo code (Molflow+) for the evaluation of conductances and the vacuum-electrical…

This article is a pedagogical review of Monte Carlo methods for the self-avoiding walk, with emphasis on the extraordinarily efficient algorithms developed over the past decade. Many more details can be found in hep-lat/9405016.

We introduce a stacking version of the Monte Carlo algorithm in the context of option pricing. Introduced recently for aeronautic computations, this simple technique, in the spirit of current machine learning ideas, learns control variates…

This series of six lectures is an introduction to using the Monte Carlo method to carry out nonperturbative studies in quantum field theories. Path integrals in quantum field theory are reviewed, and their evaluation by the Monte Carlo…

This talk,given at Monte Carlo Workshop, is a review of news in low $x$ physics which, I think, would be useful for writing of the Monte Carlo codes. The following topics are discussed here: (i) the next-to-leading order BFKL Pomeron; (ii)…

We study the electron-electron interaction effects on topological phase transitions by the ab-initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the…

This paper addresses different aspects of "coupled" model descriptions in computational electromagnetics. This includes domain decomposition, multiscale problems, multiple or hybrid discrete field formulation and multi-physics problems.…

Jet quenching is one of the major discoveries of the heavy-ion program at RHIC. While there is a wealth of data from RHIC that will soon be supplemented with measurements at the LHC, on the theoretical side the situation is less clear. A…