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physics.chem-ph2018★ 15 cited
Heat transfer statistics in mixed quantum-classical systems
Junjie Liu, Chang-Yu Hsieh, Dvira Segal +1
The modelling of quantum heat transfer processes at the nanoscale is crucial for the development of energy harvesting and molecular electronics devices. Herein, we adopt a mixed qu…
physics.chem-ph2018★ 31 cited
Efficient and Deterministic Propagation of Mixed Quantum-Classical Liouville Dynamics
Junjie Liu, Gabriel Hanna
We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution of the quantum-classical Liouville equation (QCLE). By casting the equations of…