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Search Publications by: Michael Zwolak (Fed)

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Displaying 1 - 25 of 68

Dual current anomalies and quantum transport within extended reservoir simulations

October 19, 2021
Author(s)
Gabriela Wojtowicz, Justin E. Elenewski, Marek Rams, Michael P. Zwolak
Quantum transport simulations are rapidly evolving, including the development of well–controlled tensor network techniques for many– body transport calculations. One particularly powerful approach combines matrix product states with extended reservoirs —

Performance of Reservoir Discretizations in Quantum Transport Simulations

September 29, 2021
Author(s)
Justin E. Elenewski, Gabriela Wojtowicz, Marek Rams, Michael P. Zwolak
Quantum transport simulations require a level of discretization, often achieved through an explicit representation of the electronic reservoirs. These representations should converge to the same continuum limit, though there is a trade-off between a given

Failure mechanisms in DNA self-assembly: Barriers to single fold yield

February 23, 2021
Author(s)
Jacob Majikes, Paul Patrone, Anthony J. Kearsley, Michael P. Zwolak, James Liddle
Understanding the folding process of DNA origami is a critical steppingstone to the broader implementation of nucleic acid nanofabrication technology but is notably non-trivial. Origami are formed by several hundred cooperative hybridization events – folds

Revealing thermodynamics of DNA origami folding via affine transformations

June 4, 2020
Author(s)
Jacob M. Majikes, Paul N. Patrone, Daniel R. Schiffels, Michael P. Zwolak, Anthony J. Kearsley, Samuel P. Forry, James A. Liddle
Structural DNA nanotechnology, as exemplified by DNA origami, has enabled the design and construction of molecularly precise objects for a myriad of applications. However, limitations in imaging, and other characterization approaches, make a quantitative

Open-system tensor networks and Kramers' crossover for quantum transport

May 12, 2020
Author(s)
Gabriela Wojtowicz, Justin E. Elenewski, Marek Rams, Michael P. Zwolak
Tensor networks are a powerful tool for many-body ground-states with limited entanglement. These methods can nonetheless fail for certain time-dependent processes - such as quantum trans- port or quenches - where entanglement growth is linear in time

Metal adsorbate interactions and the convergence of density functional calculations

February 10, 2020
Author(s)
Christoph Rohmann, Maicol A. Ochoa, Michael P. Zwolak
The adsorption of metal atoms on nanostructures, such as graphene and nanotubes, plays an important role in catalysis, electronic doping, and tuning material properties. Quantum chemical calculations permit the investigation of this process to discover

Optimal in situ electromechanical sensing of molecular species

January 21, 2020
Author(s)
Maicol A. Ochoa, Michael P. Zwolak
We investigate protocols for optimal molecular detection with electromechanical nanoscale sensors in ambient conditions. Our models are representative of suspended graphene nanoribbons, which due to their piezoelectric and electronic properties, provide

Topology, Landscapes, and Biomolecular Energy Transport

October 11, 2019
Author(s)
Justin E. Elenewski, Kirill Velizhanin, Michael P. Zwolak
While ubiquitous, energy redistribution remains a poorly understood facet of the nonequilibrium thermodynamics of biomolecules. At the molecular level, finite-size effects, pronounced nonlinearities, and ballistic processes conspire to produce behavior