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physics.chem-ph2026
Synthetic Stochastic Time Series from Generative Models
Zongwei Huang, Bradley S. Harris, Slater T. Bakenhaster +5
Obtaining statistically converged time-series data represents a fundamental challenge in computational chemistry, where sampling is constrained by the prohibitive computational cos…
physics.chem-ph2024
Simulating Electron Transfer in a Molecular Triad within an Optical Cavity Using NISQ Computers
Ningyi Lyu, Pouya Khazaei, Eitan Geva +1
We present a quantum algorithm based on the Tensor-Train Thermo-Field Dynamics (TT-TFD) method to simulate the open quantum system dynamics of intramolecular charge transfer modula…