Atomistic Modeling of Strains and Electronic Distortions in Materials for Quantum Computers
This project develops models to improve quantum computer material reliability by predicting how strains affect electron behavior and qubit stability.
This grant is no longer accepting proposals
NRC Research Associateship Programs has archived this opportunity.
Funder: NRC Research Associateship Programs
Due Dates: February 1, 2025 | May 1, 2025 | August 1, 2025
Funding Amounts: $82,764 stipend plus $3,000 travel allowance; typical appointment duration 2 years.
Summary: Supports postdoctoral research developing atomistic and multiscale Green’s function models to predict strain-induced electronic distortions affecting qubit stability in quantum computing materials.
Key Information: Open to U.S. citizens with a doctoral degree earned within the last 5 years; research conducted at NIST in Boulder, CO; requires prior contact with research adviser.
Description
This fellowship opportunity supports postdoctoral research focused on developing predictive and interpretative mathematical models to improve the reliability of materials used in quantum computers. The research addresses how lattice strains and defects, such as color centers in nanodiamonds, distort electron wave functions and degrade qubit stability and quantum coherence.
The project aims to generalize multiscale Green’s function methods to include electron-ion coupling effects in materials like graphene, silicene, phosphorene, and nitrogen-vacancy (NV) centers in diamond. A key challenge is modeling lattice distortions across multiple length scales—from discrete atomic displacements in small nanodiamonds (4-5 nm) to continuum strain fields in larger nanodiamonds (up to 100 nm). The Green’s function approach offers computational efficiency and seamless linking of near-field discrete lattice models with far-field continuum models.
The ultimate goal is to develop computational techniques enabling virtual experimentation on nanodiamonds and related materials, enhancing the performance, reliability, and lifetime of quantum computing systems.
