Pages that link to "Item:Q603251"
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The following pages link to Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251):
Displaying 4 items.
- Sparse approximate matrix-matrix multiplication for density matrix purification with error control (Q2124393) (← links)
- Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations (Q3561864) (← links)
- CONUNDrum: a program for orbital-free density functional theory calculations (Q6040070) (← links)
- RESPACK: an \textit{ab initio} tool for derivation of effective low-energy model of material (Q6101383) (← links)