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RAP opportunity at National Institute of Standards and Technology     NIST

Atomistic Modeling of Strains and Electronic Distortions in Materials for Quantum Computers


Material Measurement Laboratory, Applied Chemicals and Materials Division

opportunity location
50.64.72.B8349 Boulder, CO

NIST only participates in the February and August reviews.


name email phone
Vinod K. Tewary 303.497.5753


The next “quantum” jump in the efficiency of computers and other data processing devices is around the corner with the advent of quantum computers. This explains the strong topical interest in research on quantum computers in the US as well as abroad. Choice of suitable materials is obviously crucial for the development of quantum computers, for which several material systems have been proposed in the literature. Our main interest in this project is in developing predictive, as well as interpretative mathematical models for the reliability of materials for quantum computers. One factor that will dictate the choice of a quantum material is the stability of the qubits and quantum coherence that can degrade due to distortion of electron wave functions, caused by lattice strains in the solid.  Hence, a study of strain and its coupling with the electronic wave functions is extremely important for improving the reliability, integrity, performance, and lifetime of quantum computers. Over the last several years, we have developed powerful methods for calculation of the multiscale Green’s functions for a variety of material systems. In this project, we will generalize and substantially extend these methods to include the electron-ion coupling and apply them to specific material systems for quantum computers. Both 3D and 2D materials systems are of interest. In 2D, the interest is in materials such as graphene, silicene, phosphene, and TMD (transition metal dichalcogenides). In 3D, our special interest is in  NV (nitrogen and vacancy) center in diamond (including nanodiamond), a material of strong contemporary interest. In addition to being a strong contender as the primary quantum computer material, it has interesting applications such as in nano-magnetic imaging, gyroscopes, and in potentially revolutionary new devices for quantum cryptography, sensing, and communications. Interest in this material has gone up even further, because some very recent observations seem to provide experimental evidence  of the so called quantum Darwinisn, an exciting idea that is being explored as a possible link between quantum and classical mechanics  (  


key words
Atomistic modeling; Decoherence; Graphene; Multiscale Green’s functions; NV center in diamond; Phosphorene; Quantum computer materials; Quantum cryptography materials; Silicene; Transition Metal Dichalogenides;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants


Base Stipend Travel Allotment Supplementation
$82,764.00 $3,000.00
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