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This study proposes a novel imitation learning approach for the stochastic generation of human-like rhythmic wave gestures and their modulation for effective non-verbal communication through a probabilistic formulation using joint angle…

Robotics · Computer Science 2020-03-09 Mihalis Panteris , Simon Manschitz , Sylvain Calinon

Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…

Chemical Physics · Physics 2024-04-11 Nikolay V. Golubev , Jiří Vaníček

Accurate rovibrational molecular models are employed to gain insight in high-resolution into the collective effects and intermolecular processes arising when molecules in the gas phase are interacting with a resonant infrared (IR) radiation…

Chemical Physics · Physics 2025-01-20 Tamás Szidarovszky

The relationship between the shape of a molecule and its chemical reactivity is a central tenet in chemistry. However, the influence of the molecular geometry on reactivity can be subtle and result from several opposing effects. Using a…

Chemical Physics · Physics 2024-01-23 L. Ploenes , P. Straňák , A. Mishra , X. Liu , J. Pérez-Ríos , S. Willitsch

In this paper we consider the dynamics of harmonically-confined atomic gases. We present various general results which are independent of particle statistics, interatomic interactions and dimensionality. Of particular interest is the…

Quantum Gases · Physics 2014-03-13 Z. Wu , E. Zaremba

Recently, it was shown that the coupling of center-of-mass and relative motion in atomic systems leads to inelastic confinement-induced resonances (ICIRs) [Phys. Rev. Lett. 109, 073201 (2012)]. In the present work, the possible occurrence…

Mesoscale and Nanoscale Physics · Physics 2015-09-04 Maria Troppenz , Simon Sala , Philipp-Immanuel Schneider , Alejandro Saenz

An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin…

Chemical Physics · Physics 2014-07-16 G. T. P. Charnock , M. Krzystyniak , Ilya Kuprov

We demonstrate that the current laser technology used for field-free molecular alignment via a cascade of Raman rotational transitions allows for observing long-discussed non-linear quantum phenomena in the dynamics of the periodically…

Quantum Physics · Physics 2015-05-30 Johannes Floß , Ilya Sh. Averbukh

We present the quantum master equation describing the coherent and incoherent dynamics of a rapidly rotating molecule in presence of a thermal background gas. The master equation relates the rate of rotational alignment decay and…

Quantum Physics · Physics 2018-12-19 Benjamin A. Stickler , Farhad T. Ghahramani , Klaus Hornberger

We perform molecular dynamics simulations on an interacting electron gas confined to a cylindrical surface and subject to a radial magnetic field and the field of the positive background. In order to study the system at lowest energy states…

Statistical Mechanics · Physics 2009-11-07 Vishal Mehra , Jayme De Luca

Coherent resonance is the effect of resonant excitation of nonlinear coherent modes in trapped Bose condensates. This novel effect is shown to be feasible for Bose-condensed trapped gases. Conditions for realizing this effect are derived. A…

Soft Condensed Matter · Physics 2007-05-23 V. I. Yukalov , E. P. Yukalova , V. S. Bagnato

Energy transfer through quantum coherences plays an essential role in diverse natural phenomena and technological applications, such as human vision, light-harvesting complexes, quantum heat engines, and quantum information and computing.…

Chemical Physics · Physics 2019-12-23 J. Ma , H. Zhang , B. Lavorel , F. Billard , E. Hertz , J. Wu , C. Boulet , J. -M. Hartmann , O. Faucher

Chemical multisensor devices need calibration algorithms to estimate gas concentrations. Their possible adoption as indicative air quality measurements devices poses new challenges due to the need to operate in continuous monitoring modes…

Artificial Intelligence · Computer Science 2020-02-14 S. De Vito , E. Esposito , M. Salvato , O. Popoola , F. Formisano , R. Jones , G. Di Francia

We study the dynamics of entanglement in spin gases. A spin gas consists of a (large) number of interacting particles whose random motion is described classically while their internal degrees of freedom are described quantum-mechanically.…

Quantum Physics · Physics 2007-05-23 J. Calsamiglia , L. Hartmann , W. Dür , H. -J. Briegel

Long wavelength acoustic phonons are normally weakly coupled to other vibrational modes in a crystalline system. This is particularly problematic in molecular dynamics calculations where vibrations at the system size scale are typically…

Soft Condensed Matter · Physics 2016-09-08 G. J. Ackland

Currently, our general approach to retrieving molecular structures from ultrafast gas-phase diffraction heavily relies on complex ab initio electronic or vibrational excited state simulations to make conclusive interpretations. Without such…

Conventional molecular dynamics simulations macromolecules require long computational times because the most interesting motions are very slow compared with the fast oscillations of bond lengths and bond angles that limit the integration…

Chemical Physics · Physics 2008-02-03 Alexey K. Mazur

Recording molecular movies on ultrafast timescales has been a longstanding goal for unravelling detailed information about molecular dynamics. We present the direct experimental recording of very-high-resolution and -fidelity molecular…

Compressible flow varies from ideal-gas behavior at high pressures where molecular interactions become important. Density is described through a cubic equation of state while enthalpy and sound speed are functions of both temperature and…

Fluid Dynamics · Physics 2020-03-11 William A. Sirignano

We present a novel method for probing the alignment of the molecular axis of an ultracold, nonpolar dimer. These results are obtained using diatomic $^{87}\textrm{Rb}_2$ molecules in the vibrational ground state of the lowest triplet…

Atomic Physics · Physics 2015-01-15 Markus Deiß , Björn Drews , Benjamin Deissler , Johannes Hecker Denschlag