Academic
Publications
A smooth particle mesh Ewald method

A smooth particle mesh Ewald method,Ulrich Essmann,Lalith Perera,Max L. Berkowitz,Tom Darden,Hsing Lee,Lee G. Pedersen

A smooth particle mesh Ewald method   (Citations: 1287)
BibTex | RIS | RefWorks Download
potentials of the form 1/ r p with p>1. Furthermore, efficient calculation of the virial tensor follows. Use of B-splines in place of Lagrange interpolation leads to analytic gradients as well as a significant improvement in the accuracy. We demonstrate that arbitrary accuracy can be achieved, independent of system size N, at a cost that scales as N log(N). For biomolecular systems with many thousands of atoms this method permits the use of Ewald summation at a computational cost comparable to that of a simple truncation method of 10 Å or less. © 1995 American Institute of Physics.
Published in 2003.
Cumulative Annual
View Publication
The following links allow you to view full publications. These links are maintained by other sources not affiliated with Microsoft Academic Search.
Sort by: