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July 14, 2026Journal of Chemical Theory and ComputationOpen Access

Strategies to Predict and Design Spin Defects for Quantum Technologies

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Authors

GGGiulia GalliACAlfonso CastilloSCSwarnabha Chattaraj

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Overview

Perspective discusses strategies to design spin defects for optimal functionality in quantum technologies, indicating new applications.

Key Points

  • This work focuses on predicting and designing spin defects in materials for quantum applications.
  • Employs density functional theory to assess structural stability at zero temperature.
  • Utilizes first-principles molecular dynamics and machine-learned potentials to simulate spin defect formation.
  • Develops computational frameworks and codes to analyze electronic and coherence properties of spin defects.
  • Demonstrated effective predictions for specific spin defects in heterogeneous solids.
  • Highlighted the role of electronic and coherence properties in functionality for quantum memory.
  • Outlined potential applications in quantum sensing and communication, addressing current challenges.

Cite This Study

Galli et al. (2026) studied this question.

synapsesocial.com/papers/6a55d18e5aafca87247f885ahttps://doi.org/10.1021/acs.jctc.6c00670
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Also Consider

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