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A fundamental objective of materials modeling is identifying atomic structures that align with experimental observables. Conventional approaches for disordered materials involve sampling from thermodynamic ensembles and hoping for an…

Materials Science · Physics 2025-09-30 Tigany Zarrouk , Miguel A. Caro

The tomographic imaging of arbitrary molecular orbitals via high-order harmonic generation requires that electrons recollide from one direction only. Within a semi-classical model, we show that extremely short phase-stabilized laser pulses…

Atomic Physics · Physics 2009-11-13 Elmar V. van der Zwan , Manfred Lein

Molecular rotational spectroscopy based on strong-field-ionization-induced nitrogen laser is employed to investigate the time evolution of the rotational wave packet composed by a coherent superposition of quantum rotational states created…

The energy dependent thermoelectric response of a single molecule contains valuable information about its transmission function and its excited states. However, measuring it requires devices that can efficiently heat up one side of the…

We develop a linear method for solving the nonlinear differential equations of a lumped-parameter thermal model of a spacecraft moving in a closed orbit. Our method, based on perturbation theory, is compared with heuristic linearizations of…

Computational Engineering, Finance, and Science · Computer Science 2012-09-05 Jose Gaite , German Fernandez-Rico

A new mode of effective interaction of molecular rotational degrees of freedom with an intense, nonresonant, ultrashort laser pulse is explored. Transient nonadiabatic charge redistribution (TNCR) in larger molecules or molecular ions…

Optics · Physics 2020-01-01 D. A. Romanov , R. J. Levis

The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…

Materials Science · Physics 2024-06-19 J. M. Molina , T. G. White

Recently, a method to image molecular electronic wave functions using high harmonic generation (HHG) was introduced by Itatani \textit{et al.\} [Nature {\textbf{432}}, 876 (2004)]. We show that, while the tomographic reconstruction of…

Atomic Physics · Physics 2009-11-13 Elmar V. van der Zwan , Ciprian C. Chirilă , Manfred Lein

Ultrafast laser pulse has provided a systematic way to inspect the dynamics of electrons in condensed matter systems. In this paper, by means of time-dependent density matrix renormalization group, we study an ultrafast laser driven Kondo…

Strongly Correlated Electrons · Physics 2021-06-23 W. Zhu , Benedikt Fauseweh , Alexis Chacon , Jian-Xin Zhu

When fluids of anisotropic molecules are placed in temperature gradients, the molecules may align themselves along the gradient: this is called thermo-orientation. We discuss the theory of this effect in a fluid of particles that interact…

Statistical Mechanics · Physics 2019-04-02 Robert L. Jack , Peter Wirnsberger , Aleks Reinhardt

The dynamics of molecular electron excitation and ionisation is studied in real-time for ultra-short IR laser pulses of intensity I>10^{13} W/cm^{2}. The multi-electron molecule is modeled by a system of two active electrons moving in a…

Optics · Physics 2015-06-26 A. I. Pegarkov

A new nonlinear model is proposed for tuneable lasers. Using the generalized nonlinear Schr\"odinger equation as a starting point, expressions for the transformations undergone by the pulse are derived for each of the five components (gain,…

Optics · Physics 2020-02-17 Brady Metherall , C. Sean Bohun

We propose a mechanism to produce a superposition of atomic and molecular states by a train of ultrashort laser pulses combined with weak control fields. By adjusting the repetition rate of the pump pulses and the intensity of the coupling…

Atomic Physics · Physics 2014-11-18 Anahit Gogyan , Stephane Guerin , Yuri Malakyan

We present a complete numerical analysis and simulation of the full spatio-temporal dynamics of Kerr-lens mode-locking (KLM) in a laser on all time-scales. The KLM dynamics, which is the workhorse mechanism for generating ultrashort pulses,…

Optics · Physics 2022-08-17 Idan Parshani , Leon Bello , Mallachi-Elia Meller , Avi Pe'er

A coherent superposition of rotational states in D$_2$ has been excited by nonresonant ultrafast (12 femtosecond) intense (2 $\times$ 10$^{14}$ Wcm$^{-2}$) 800 nm laser pulses leading to impulsive dynamic alignment. Field-free evolution of…

The field-free alignment and orientation of the linear molecule by the two-color trapezoidal laser pulses were theoretically investigated. The trapezoidal shape of a laser pulse allows to enhance the maximum alignment degree for the same…

Quantum Physics · Physics 2024-01-11 Eugene A. Koval

We use molecular dynamics simulations to study the dynamics of an ensemble of interacting self-propelled semi-flexible polymers in contact with a thermal bath. Our intention is to model complex systems of biological interest. We find that…

Soft Condensed Matter · Physics 2011-05-06 Davide Loi , Stefano Mossa , Leticia F. Cugliandolo

In this manuscript we present a theoretical framework and its numerical implementation to simulate the out-of-equilibrium electron dynamics induced by the interaction of ultrashort laser pulses in condensed-matter systems. Our approach is…

Linear algebraic primitives are at the core of many modern algorithms in engineering, science, and machine learning. Hence, accelerating these primitives with novel computing hardware would have tremendous economic impact. Quantum computing…

We present two methods for studying reactive collisions between two atomic or molecular species: a collinear merged-beam method, in which two gas pulses from a single supersonic beam source are coalesced, and an intrabeam-scattering…

Atomic Physics · Physics 2021-07-15 Katrin Dulitz , Marco van den Beld-Serrano , Frank Stienkemeier