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We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…

计算物理 · 物理学 2021-04-14 Stefan Chmiela , Huziel E. Sauceda , Alexandre Tkatchenko , Klaus-Robert Müller

We present theoretical studies of high-order harmonic generation (HHG) in rare gases driven by plasmonic field enhancement. This kind of fields appears when plasmonic nanostructures are illuminated by an intense few-cycle laser and have a…

原子物理 · 物理学 2015-06-11 M. F. Ciappina , T. Shaaran , M. Lewenstein

High-order harmonic generation (HHG) in solids has emerged as a versatile platform for exploring ultrafast and quantum-coherent phenomena in condensed matter. Recent advances reveal Berry-phase and topological effects in harmonic emission,…

光学 · 物理学 2025-10-20 Marcelo F. Ciappina

Harmonic generation is a general characteristic of driven nonlinear systems, and serves as an efficient tool for investigating the fundamental principles that govern the ultrafast nonlinear dynamics. In atomic gases, high-harmonic radiation…

To address the computational challenges of ab initio molecular dynamics and the accuracy limitations of empirical force fields, the introduction of machine learning force fields has proven effective in various systems including metals and…

软凝聚态物质 · 物理学 2023-12-18 Junbao Hu , Liyang Zhou , Jian Jiang

Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a…

High-order harmonic generation is investigated for H$_2^+$ and D$_2^+$ with and without Born-Oppenheimer approximation by numerical solution of full dimensional electronic time-dependent Schr\"{o}dinger equation under 4-cycle intense laser…

原子物理 · 物理学 2014-10-22 Hamed Ahmadi , Ali Maghari , Hassan Sabzyan , Ali Reza Niknam , Mohsen Vafaee

This paper focuses on investigating high-order harmonic generation (HHG) in graphene quantum dots (GQDs) under intense near-infrared laser fields. To model the GQD and its interaction with the laser field, we utilize a mean-field approach.…

介观与纳米尺度物理 · 物理学 2023-09-15 H. K. Avetissian , A. G. Ghazaryan , Kh. V. Sedrakian , G. F. Mkrtchian

The generation of high-order harmonics in bulk solids subjected to intense ultrashort laser pulses has opened up new avenues for research in extreme nonlinear optics and light-matter interaction on sub-cycle timescales. Despite significant…

We consider strongly-convex-strongly-concave saddle-point problems with general non-bilinear objective and different condition numbers with respect to the primal and the dual variables. First, we consider such problems with smooth composite…

We present a new trajectory formulation of high harmonic generation that treats classically allowed and classically forbidden processes within a single dynamical framework. Complex trajectories orbit the nucleus, producing the stationary…

量子物理 · 物理学 2019-07-31 Werner Koch , David J. Tannor

We propose a metallic-silicon system with a complex optical potential modulated along the length of the waveguide for a robust higher harmonic generation. For right moving fields when the strength of non-Hermiticity becomes equal to the…

光学 · 物理学 2022-01-20 Gui-Lei Zhu , Amir Targholizadeh , Xin-You Lu , Cem Yuce , Hamidreza Ramezani

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

生物大分子 · 定量生物学 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

This paper presents an alternative approach for the computation of trajectory segments on slow manifolds of saddle type. This approach is based on iterative methods rather than collocation-type methods. Compared to collocation methods, that…

动力系统 · 数学 2015-05-07 Kristian Uldall Kristiansen

We consider several aspects of high-order harmonic generation in solids: the effects of elastic and inelastic scattering; varying pulse characteristics; and inclusion of material-specific parameters through a realistic band structure. We…

其他凝聚态物理 · 物理学 2013-02-07 A. F. Kemper , B. Moritz , J. K. Freericks , T. P. Devereaux

High harmonic generation is a convenient way to obtain extreme ultraviolet light from table-top laser systems and the experimental tools to exploit this simple and powerful light source for time-resolved spectroscopy are being developed by…

原子与分子团簇 · 物理学 2013-12-20 Jakob Grilj , Emily Sistrunk , Markus Koch , Markus Gühr

A theory for laser-driven electron dynamics and high-harmonic generation in bulk solids with two lattice sites per unit cell of arbitrary dimension is formulated. In tight-binding approximation, such solids can be described by $2\times 2$…

介观与纳米尺度物理 · 物理学 2024-03-12 Daniel Moos , Hannah Jürß , Dieter Bauer

We discuss several mechanisms of heavy quark production in (real) photon-nucleon and (real) photon - (real) photon collisions. In particular we focuse on application of the Saturation Model. We discuss how to generalize the formula from…

高能物理 - 唯象学 · 物理学 2011-01-25 A. Szczurek

We present studies of high-order harmonic generation (HHG) at laser intensities well above saturation. We use driving laser pulses which present a particular electron dynamics in the turn-on stage. Our results predict an increasing on the…

原子物理 · 物理学 2015-06-19 J. A. Pérez-Hernández , M. F. Ciappina , M. Lewenstein , A. Zaïr , L. Roso

High-order harmonic generation (HHG) with relativistically strong laser pulses is considered employing electron ionization-recollisions from multiply charged ions in counterpropagating, linearly polarized attosecond pulse trains. The…

原子物理 · 物理学 2015-05-19 Markus C. Kohler , Michael Klaiber , Karen Z. Hatsagortsyan , Christoph H. Keitel