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Browsing Tag

Computational methods

9 posts
PPhysics
Electron ptychography reveals correlated lattice vibrations at atomic resolution
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Electron ptychography reveals correlated lattice vibrations at atomic resolution

  • 12 June 2026
The first step of CAVIAR is a gradient-based ptychographic reconstruction5,10,20,25,26,27,28 which fits a transmission function of the specimen…
PPhysics
Scalable Boltzmann generators for equilibrium sampling of large-scale materials
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Scalable Boltzmann generators for equilibrium sampling of large-scale materials

  • 6 June 2026
Scaling Boltzmann generators to large systems Central to scaling any architecture in the context of many-body systems is…
PPhysics
Evidence for the generic existence of two local structures in liquid water
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Evidence for the generic existence of two local structures in liquid water

  • 6 June 2026
Stillinger, F. H. Water revisited. Science 209, 451–457 (1980). Article  ADS  Google Scholar  Speedy, R. J. & Angell,…
PPhysics
A universal spin–orbit-coupled Hamiltonian model for accelerated quantum material discovery
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A universal spin–orbit-coupled Hamiltonian model for accelerated quantum material discovery

  • 27 February 2026
Zutic, I., Fabian, J. & Das Sarma, S. Spintronics: fundamentals and applications. Rev. Mod. Phys. 76, 323–410 (2004).…
PPhysics
Non-monotonic size-dependent exciton radiative lifetime in CsPbBr3 nanocrystals
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Non-monotonic size-dependent exciton radiative lifetime in CsPbBr3 nanocrystals

  • 11 July 2025
We investigated the effect of nanocrystal size on optical properties, focusing on the radiative lifetime. Over 30 high-quality…
PPhysics
Quantum dynamics simulation of exciton-polariton transport
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Quantum dynamics simulation of exciton-polariton transport

  • 2 July 2025
First, we study the quantum dynamics of EP transport an “ideal” organic microcavity model without static disorder (cf.…
AArtificial intelligence
A framework to evaluate machine learning crystal stability predictions
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A framework to evaluate machine learning crystal stability predictions

  • 24 June 2025
Bergerhoff, G., Hundt, R., Sievers, R. & Brown, I. D. The inorganic crystal structure data base. J. Chem.…
PPhysics
Tunability of acoustic band gaps using Thue Morse quasiperiodic lateral resonators
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Tunability of acoustic band gaps using Thue Morse quasiperiodic lateral resonators

  • 10 May 2025
Shin, Y. C. et al. Phononic band gap of a quarter-wave stack for enhanced piezoelectric energy harvesting. Int.…
PPhysics
Efficient spin accumulation carried by slow relaxons in chiral tellurium
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Efficient spin accumulation carried by slow relaxons in chiral tellurium

  • 4 May 2025
Exact Boltzmann transport approach To quantify the current-induced spin accumulation in tellurium crystals, we use the semiclassical Boltzmann…
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