24 citations · 103 across the 12 of their papers we have counts for
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Designing Optically Addressable Nitrogen-Vacancy Centers in Ultra-Small Nanodiamonds: Insights from First-Principles Calculations
Arpan Kundu, Francesco Martinelli, Giulia Galli
Ultrasmall nanodiamonds (USNDs) are promising platforms for fluorescent and quantum sensing applications. Here we present first-principles electronic structure calculations of colo…
Nuclear Quantum Effects on the Electronic Structure of Water and Ice
Margaret Berrens, Arpan Kundu, Marcos F. Calegari Andrade +3
The electronic properties and optical response of ice and water are intricately shaped by their molecular structure, including the quantum mechanical nature of hydrogen atoms. In s…
Quantum Vibronic Effects on the Excitation Energies of the Nitrogen-Vacancy Center in Diamond
Arpan Kundu, Giulia Galli
We investigate the impact of quantum vibronic coupling on the electronic properties of solid-state spin defects using stochastic methods and first principles molecular dynamics wit…