Pages that link to "Item:Q2270076"

The following pages link to A massively-parallel electronic-structure calculations based on real-space density functional theory (Q2270076):

Displaying 19 items.

• Massively-parallel electron dynamics calculations in real-time and real-space: toward applications to nanostructures of more than ten-nanometers in size (Q348982) (← links)
• Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations (Q536916) (← links)
• Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251) (← links)
• Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory (Q709701) (← links)
• Efficient first-principles calculations of the electronic structure of periodic systems (Q710174) (← links)
• RESCU: a real space electronic structure method (Q729415) (← links)
• Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations (Q882583) (← links)
• Scalability of correlated electronic structure calculations on parallel computers: A case study of the RI-MP2 method (Q1575579) (← links)
• Fast solution of Schrödinger's equation using linear combinations of plane waves (Q1672700) (← links)
• Parallel empirical pseudopotential electronic structure calculations for million atom systems (Q1979124) (← links)
• Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
• Efficient parallel strategy for molecular plasmonics -- a numerical tool for integrating Maxwell-Schrödinger equations in three dimensions (Q2681148) (← links)
• ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems (Q2696541) (← links)
• (Q3538692) (← links)
• An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
• HARES: An efficient method for first-principles electronic structure calculations of complex systems (Q5944565) (← links)
• DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
• RESPACK: an \textit{ab initio} tool for derivation of effective low-energy model of material (Q6101383) (← links)