References in zbMATH (referenced in 14 articles )

Showing results 1 to 14 of 14.
Sorted by year (citations)

  1. Chinnamsetty, Sambasiva Rao; Griebel, Michael; Hamaekers, Jan: An adaptive multiscale approach for electronic structure methods (2018)
  2. Ghale, Purnima; Kroonblawd, Matthew P.; Mniszewski, Sue; Negre, Christian F. A.; Pavel, Robert; Pino, Sergio; Sardeshmukh, Vivek; Shi, Guangjie; Hahn, Georg: Task-based parallel computation of the density matrix in quantum-based molecular dynamics using graph partitioning (2017)
  3. Zhang, Gaigong; Lin, Lin; Hu, Wei; Yang, Chao; Pask, John E.: Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations (2017)
  4. Bock, Nicolas; Challacombe, Matt; Kalé, Laxmikant V.: Solvers for $\mathcalO(N)$ electronic structure in the strong scaling limit (2016)
  5. Wang, Xin-Cindy; Blesgen, Thomas; Bhattacharya, Kaushik; Ortiz, Michael: A variational framework for spectral approximations of Kohn-Sham density functional theory (2016)
  6. Motamarri, P.; Nowak, M. R.; Leiter, K.; Knap, J.; Gavini, V.: Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (2013)
  7. Jordan, Gerald; Marsman, Martijn; Kim, Yoon-Suk; Kresse, Georg: Fast iterative interior eigensolver for millions of atoms (2012)
  8. Auckenthaler, T.; Blum, V.; Bungartz, H.-J.; Huckle, T.; Johanni, R.; Krämer, L.; Lang, B.; Lederer, H.; Willems, P. R.: Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations (2011) ioport
  9. Suryanarayana, Phanish; Bhattacharya, Kaushik; Ortiz, Michael: A mesh-free convex approximation scheme for Kohn-sham density functional theory (2011)
  10. Suryanarayana, Phanish; Gavini, Vikram; Blesgen, Thomas; Bhattacharya, Kaushik; Ortiz, Michael: Non-periodic finite-element formulation of Kohn-Sham density functional theory (2010)
  11. Havu, V.; Blum, V.; Havu, P.; Scheffler, M.: Efficient $O(N)$ integration for all-electron electronic structure calculation using numeric basis functions (2009)
  12. Hill, Quintin; Skylaris, Chris-Kriton: Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations (2009)
  13. Hine, N. D. M.; Haynes, P. D.; Mostofi, A. A.; Skylaris, C.-K.; Payne, M. C.: Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (2009)
  14. Gavinia, Vikram; Knap, Jaroslaw; Bhattacharya, Kaushik; Ortiz, Michael: Non-periodic finite-element formulation of orbital-free density functional theory (2007)


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