QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

Posted on 2023-07-22 - 23:30 authored by Alexei Kananenka

Simulations of the dynamics of dissipative quantum systems utilize many methods such as physics-based quantum, semiclassical, and quantum-classical as well as machine learning-based approximations, development and testing of which requires diverse data sets. Here we present a new database QD3SET-1 containing eight data sets of quantum dynamical data for two systems of broad interest, spin-boson (SB) model and the Fenna–Matthews–Olson (FMO) complex, generated with two different methods solving the dynamics, approximate local thermalizing Lindblad master equation (LTLME) and highly accurate hierarchy equations of motion (HEOM). One data set was generated with the SB model which is a two-level quantum system coupled to a harmonic environment using HEOM for 1,000 model parameters. Seven data sets were collected for the FMO complex of different sizes (7- and 8-site monomer and 24-site trimer with LTLME and 8-site monomer with HEOM) for 500–879 model parameters. Our QD3SET-1 database contains both population and coherence dynamics data and part of it has been already used for machine learning-based quantum dynamics studies. 


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National Natural Science Foundation of China (No. 22003051)

Fundamental Research Funds for the Central Universities (No. 20720210092)

Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Universities

Outstanding Youth Scholars program (Overseas, 2021) National Natural Science Foundation of China

Lab project of the State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University

Research Institution(s)

University of Delaware, Xiamen University

Contact email

Competing Interest Statement

There are no competing interests to declare.


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