All Stories

  1. A unified framework of mixed quantum–classical dynamics with trajectory branching
  2. Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling model
  3. A mixed deterministic–stochastic algorithm of the branching corrected mean field method for nonadiabatic dynamics
  4. Controlling exciton-exciton annihilation in WSe2 bilayers via interlayer twist
  5. Publisher’s Note: “Branching and phase corrected surface hopping: A benchmark of nonadiabatic dynamics in multilevel systems” [J. Chem. Phys. 154, 234109 (2021)]
  6. Branching and phase corrected surface hopping: A benchmark of nonadiabatic dynamics in multilevel systems
  7. Unbiased fuzzy global optimization of Lennard-Jones clusters for N ≤ 1000
  8. Numerical tests of coherence-corrected surface hopping methods using a donor-bridge-acceptor model system
  9. Branching corrected surface hopping: Resetting wavefunction coefficients based on judgement of wave packet reflection
  10. Semiclassical Moyal dynamics
  11. MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials