Parallel empirical pseudopotential electronic structure calculations for million atom systems
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Cites work
Cited in
(13)- A flexible framework for multidimensional DFTs
- Gaussianization of the spectra of graphs and networks. Theory and applications
- Parallelization of the FLAPW method
- The many facets of the Estrada indices of graphs and networks
- The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot
- Surface passivation optimization using DIRECT
- Massively-parallel electron dynamics calculations in real-time and real-space: toward applications to nanostructures of more than ten-nanometers in size
- A projection based multiscale optimization method for eigenvalue problems
- State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems
- Gaussian basis implementation of the charge patching method
- A genetic algorithm based inverse band structure method for semiconductor alloys
- A massively-parallel electronic-structure calculations based on real-space density functional theory
- Exploring the “Middle Earth” of network spectra via a Gaussian matrix function
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