title: A computational workflow for designing silicon donor qubits.
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.
authors.affiliation: Quantum Computing Institute, Oak Ridge National Laboratory, Oak Ridge, TN, USA. Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. Bredesen Center for Interdisciplinary Research, University of Tennessee, Knoxville, TN, USA.
authors.forename: Travis S
authors.initials: TS
authors.lastname: Humble
authors.forename: M Nance
authors.initials: MN
authors.lastname: Ericson
authors.forename: Jacek
authors.initials: J
authors.lastname: Jakowski
authors.forename: Jingsong
authors.initials: J
authors.lastname: Huang
authors.forename: Charles
authors.initials: C
authors.lastname: Britton
authors.forename: Franklin G
authors.initials: FG
authors.lastname: Curtis
authors.forename: Eugene F
authors.initials: EF
authors.lastname: Dumitrescu
authors.forename: Fahd A
authors.initials: FA
authors.lastname: Mohiyaddin
authors.forename: Bobby G
authors.initials: BG
authors.lastname: Sumpter