394 citations · 5.2k across the 147 of their papers we have counts for
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Tuning molecular thermal conductance through endgroup modification and halogen substitution
Jonathan J. Wang, Dvira Segal
We demonstrate tuning of the phononic thermal conductance in single molecules with carbon-chain backbones through modifications of terminal groups and halogen substitution of hydro…
Machine learning delta-T noise for temperature bias estimation
Matthew Gerry, Jonathan J. Wang, Joanna Li +3
Delta-T shot noise is activated in temperature-biased electronic junctions, down to the atomic scale. It is characterized by a quadratic dependence on the temperature difference an…
Role of Bath-Induced Many-Body Interactions in the Dissipative Phases of the Su-Schrieffer-Heeger Model
Brett Min, Kartiek Agarwal, Dvira Segal
The Su-Schrieffer-Heeger chain is a prototype example of a symmetry-protected topological insulator. Coupling it non-perturbatively to local thermal environments, either through th…
Thermal transport in fullerene-based molecular junctions: Molecular dynamics simulations
Joanna Li, Jonathan J. Wang, Dvira Segal
We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene mo…
Challenges in molecular dynamics simulations of heat exchange statistics
Jonathan J. Wang, Matthew Gerry, Dvira Segal
We study heat exchange in temperature-biased metal-molecule-metal molecular junctions by employing the LAMMPS atomic molecular dynamics simulator. Generating the nonequilibrium ste…
Simulations of Heat Transport in Single-Molecule Junctions: Investigations of the Thermal Diode Effect
Jonathan J. Wang, Jie Gong, Alan J. H. McGaughey +1
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions usin…