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

TL;DR

QD3SET-1 is a comprehensive database of quantum dissipative dynamics data, including multiple systems and methods, designed to support development and testing of quantum simulation techniques.

Contribution

The paper introduces QD3SET-1, a new diverse database of quantum dynamics data for key systems, generated with multiple methods, facilitating machine learning and simulation research.

Findings

Contains data for spin-boson and FMO models

Includes both population and coherence dynamics

Supports machine learning-based quantum dynamics studies

Abstract

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.