Literature DB >> 31757143

The static local field correction of the warm dense electron gas: An ab initio path integral Monte Carlo study and machine learning representation.

T Dornheim1, J Vorberger2, S Groth3, N Hoffmann2, Zh A Moldabekov3, M Bonitz3.   

Abstract

The study of matter at extreme densities and temperatures as they occur in astrophysical objects and state-of-the-art experiments with high-intensity lasers is of high current interest for many applications. While no overarching theory for this regime exists, accurate data for the density response of correlated electrons to an external perturbation are of paramount importance. In this context, the key quantity is given by the local field correction (LFC), which provides a wave-vector resolved description of exchange-correlation effects. In this work, we present extensive new path integral Monte Carlo (PIMC) results for the static LFC of the uniform electron gas, which are subsequently used to train a fully connected deep neural network. This allows us to present a representation of the LFC with respect to continuous wave-vectors, densities, and temperatures covering the entire warm dense matter regime. Both the PIMC data and neural-net results are available online. Moreover, we expect the presented combination of ab initio calculations with machine-learning methods to be a promising strategy for many applications.

Year:  2019        PMID: 31757143     DOI: 10.1063/1.5123013

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Learning transport processes with machine intelligence.

Authors:  Francesco Miniati; Gianluca Gregori
Journal:  Sci Rep       Date:  2022-07-09       Impact factor: 4.996

2.  Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes.

Authors:  Tobias Dornheim; Zhandos A Moldabekov; Jan Vorberger; Burkhard Militzer
Journal:  Sci Rep       Date:  2022-01-13       Impact factor: 4.379

3.  Density Functional Theory Perspective on the Nonlinear Response of Correlated Electrons across Temperature Regimes.

Authors:  Zhandos Moldabekov; Jan Vorberger; Tobias Dornheim
Journal:  J Chem Theory Comput       Date:  2022-04-28       Impact factor: 6.578

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.