Search
Skip to Search Results
Filter
Subject / Keyword
Supervisors
Author / Creator / Contributor
Year
Collections
Languages
Item type
Departments
-
Applications of DECIDE Quantum-Classical Dynamics: Proton Transfer and Quantum Battery Models
DownloadSpring 2022
The quantum-classical Liouville equation (QCLE) provides a foundation for simulating the dynamics of quantum systems coupled to classical environments. Many processes including proton-transfer reactions, electron-transfer reactions, and heat transport in molecular junctions, for example, take...
-
Testing the Limits of Approximate Solutions of the Quantum-Classical Liouville Equation for Modelling Quantum Processes Occurring in Condensed Phase Environments
DownloadFall 2018
Many methods exist for simulating the nonadiabatic dynamics of mixed quantum-classical systems, some of which are more accurate than others. Some of the most accurate methods are based on solving the quantum-classical Liouville equation (QCLE) represented in the adiabatic basis, in terms of an...
1 - 2 of 2