Abstract
Developing devices that can reliably and accurately demonstrate the principles of superposition and entanglement is an on-going challenge for the quantum computing community. Modeling and simulation offer attractive means of testing early device designs and establishing expectations for operational performance. However, the complex integrated material systems required by quantum device designs are not captured by any single existing computational modeling method. We examine the development and analysis of a multi-staged computational workflow that can be used to design and characterize silicon donor qubit systems with modeling and simulation. Our approach integrates quantum chemistry calculations with electrostatic field solvers to perform detailed simulations of a phosphorus dopant in silicon. We show how atomistic details can be synthesized into an operational model for the logical gates that define quantum computation in this particular technology. The resulting computational workflow realizes a design tool for silicon donor qubits that can help verify and validate current and near-term experimental devices.
Original language | English |
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Article number | 424002 |
Journal | Nanotechnology |
Volume | 27 |
Issue number | 42 |
DOIs | |
State | Published - Sep 19 2016 |
Funding
The authors thank Arne Laucht of University of New South Wales for help in specifying the device design in figure 2. A portion of this research was conducted at the Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. NCN/nanohub.org computational resources funded by the National Science Foundation under contract number EEC-1227110 were for the NEMO-3D simulations. The work at CNMS used computational resources of the XSEDE allocation TG-DMR110037 and of the National Energy Research Scientific Computing Center which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.
Keywords
- computational workflow
- modeling and simulation
- quantum computing
- silicon donor devices