The following pages link to CASTEP (Q30153):
Displayed 16 items.
- \texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes (Q314204) (← links)
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
- A mesh-free convex approximation scheme for Kohn-sham density functional theory (Q550951) (← links)
- Constant pressure Langevin dynamics: theory and application (Q709770) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
- Structure stability and configuration evolution of AL\(_{n}\) (\(n =3, 4, 6, 13, 19\)) clusters (Q851280) (← links)
- User-centered design practice for grid-enabled simulation in e-science (Q980461) (← links)
- Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction (Q1738917) (← links)
- A sublinear-scaling approach to density-functional-theory analysis of crystal defects (Q2119163) (← links)
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← links)
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← links)
- A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation (Q2310010) (← links)
- Higher-order adaptive finite-element methods for orbital-free density functional theory (Q2446907) (← links)
- The Eigenvalues Slicing Library (EVSL): Algorithms, Implementation, and Software (Q5230632) (← links)