{"title":"Efficient data-driven polarization learning for attosecond science and nonperturbative nonlinear optics","authors":"Emmanuel Lorin , Charlotte Noxon","doi":"10.1016/j.cpc.2025.109617","DOIUrl":null,"url":null,"abstract":"<div><div>This paper is devoted to the computation of atomic/molecular polarization (dipole moment) or acceleration in the context of attosecond science and with preliminary application to nonperturbative nonlinear optics. Specifically, dipole moments and dipole accelerations are efficiently learnt for <em>continuous</em> sets of physical parameters using neural networks trained from a finite number of solutions to parameterized Time Dependent Schrödinger equations computed with classical numerical methods. We then propose an application to a Maxwell-Schrödinger system modeling the macroscopic propagation of intense and short laser pulses in a gas, and show that polarization learning allows for an important improvement of the computational efficiency. Some experiments and analytical results illustrate the proposed strategy.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109617"},"PeriodicalIF":7.2000,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525001195","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0
Abstract
This paper is devoted to the computation of atomic/molecular polarization (dipole moment) or acceleration in the context of attosecond science and with preliminary application to nonperturbative nonlinear optics. Specifically, dipole moments and dipole accelerations are efficiently learnt for continuous sets of physical parameters using neural networks trained from a finite number of solutions to parameterized Time Dependent Schrödinger equations computed with classical numerical methods. We then propose an application to a Maxwell-Schrödinger system modeling the macroscopic propagation of intense and short laser pulses in a gas, and show that polarization learning allows for an important improvement of the computational efficiency. Some experiments and analytical results illustrate the proposed strategy.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.