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Träfflista för sökning "WFRF:(Pakdel S.) srt2:(2021)"

Sökning: WFRF:(Pakdel S.) > (2021)

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1.
  • Majchrzak, P., et al. (författare)
  • Switching of the electron-phonon interaction in 1T-VSe2 assisted by hot carriers
  • 2021
  • Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 103:24
  • Tidskriftsartikel (refereegranskat)abstract
    • We apply an intense infrared laser pulse in order to perturb the electronic and vibrational states in the three-dimensional charge density wave material 1T-VSe2. Ultrafast snapshots of the light-induced hot carrier dynamics and nonequilibrium quasiparticle spectral function are collected using time- and angle-resolved photoemission spectroscopy. The hot carrier temperature and time-dependent electronic self-energy are extracted from the time-dependent spectral function, revealing that incoherent electron-phonon interactions heat the lattice above the charge density wave critical temperature on a timescale of (200±40) fs. Density functional perturbation theory calculations establish that the presence of hot carriers alters the overall phonon dispersion and quenches efficient low-energy acoustic phonon scattering channels, which results in a new quasiequilibrium state that is experimentally observed. 
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2.
  • Rogers, J., et al. (författare)
  • Bypassing the computational bottleneck of quantum-embedding theories for strong electron correlations with machine learning
  • 2021
  • Ingår i: Physical Review Research. - : American Physical Society. - 2643-1564. ; 3:1
  • Tidskriftsartikel (refereegranskat)abstract
    • A cardinal obstacle to performing quantum-mechanical simulations of strongly correlated matter is that, with the theoretical tools presently available, sufficiently accurate computations are often too expensive to be ever feasible. Here we design a computational framework combining quantum-embedding (QE) methods with machine learning. This allows us to bypass altogether the most computationally expensive components of QE algorithms, making their overall cost comparable to bare density functional theory. We perform benchmark calculations of a series of actinide systems, where our method accurately describes the correlation effects, reducing by orders of magnitude the computational cost. We argue that, by producing a larger-scale set of training data, it will be possible to apply our method to systems with arbitrary stoichiometries and crystal structures, paving the way to virtually infinite applications in condensed matter physics, chemistry, and materials science. 
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  • Resultat 1-2 av 2

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