Work

QD3SET-1: a database with quantum dissipative dynamics datasets

Year: 2023

Type: article

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

Source: Frontiers in Physics

DOI: 10.3389/fphy.2023.1223973

Authors: Arif Ullah, Luis E. Herrera Rodr ́iguez, Pavlo O. Dral, Alexei A. Kananenka

Institutions: Anhui University, Xiamen University, University of Delaware

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,795