Key Papers
- Lippert, G; Hutter, J; Parrinello, M.; A hybrid Gaussian and plane wave density functional scheme.;Mol. Phys., 92 (3), 477-487 (1997).
- Lippert, G; Hutter, J; Parrinello, M.;The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations.; Theo. Chem Acc., 103 (2), 124-140 (1999).
- Laino, T; Mohamed, F; Laio, A; Parrinello, M.; An efficient real space multigrid QM/MM electrostatic coupling.; J. Chem. Theory and Comp. 1 (6), 1176-1184 (2005).
- Laino, T; Mohamed, F; Laio, A; Parrinello, M.; An efficient linear-scaling electrostatic coupling for treating periodic boundary conditions in QM/MM simulations.; J. Chem. Theory and Comp., 2 (5), 1370-1378 (2006).
Read more about this topic: CP2K
Famous quotes containing the words key and/or papers:
“At the last, tenderly,
From the walls of the powerful fortress’d house,
From the clasp of the knitted locks, from the keep of the well-closed doors,
Let me be wafted.
Let me glide noiselessly forth;
With the key of softness unlock the locks—with a whisper,
Set ope the doors O soul.”
—Walt Whitman (1819–1892)
“Sitting along the bed’s edge, where
You curled the papers from your hair,
Or clasped the yellow soles of feet
In the palms of both soiled hands.”
—T.S. (Thomas Stearns)