On mesh-based Ewald methods: Optimal parameters for two differentiation schemes

Skip Nav Destination

J. Chem. Phys. 128, 214106 (2008)

This article has been cited by the following articles in journals that are participating in CrossRef Cited-by Linking.

Sarkas: A fast pure-python molecular dynamics suite for plasma physics

Luciano G. Silvestri
Lucas J. Stanek
Gautham Dharuman
Yongjun Choi
Michael S. Murillo

Computer Physics Communications (2022) 272: 108245.

Accelerating molecular dynamics codes by performance and accuracy modeling

Diego Fabregat-Traver
Ahmed E. Ismail
Paolo Bientinesi

Journal of Computational Science (2018) 27: 77.

A generalized Ewald decomposition for screened Coulomb interactions

Gautham Dharuman
Liam G. Stanton
James N. Glosli
Michael S. Murillo

The Journal of Chemical Physics (2017) 146 (2)

Multiple Staggered Mesh Ewald: Boosting the Accuracy of the Smooth Particle Mesh Ewald Method

Han Wang
Xingyu Gao
Jun Fang

Journal of Chemical Theory and Computation 12, 5596 (2016)

Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation

Rolf E. Isele-Holder
Wayne Mitchell
Jeff R. Hammond
Axel Kohlmeyer
Ahmed E. Ismail

Journal of Chemical Theory and Computation 9, 5412 (2013)

On the Numerical Accuracy of Ewald, Smooth Particle Mesh Ewald, and Staggered Mesh Ewald Methods for Correlated Molecular Systems

Han Wang
Pingwen Zhang
Christof Schütte

Journal of Chemical Theory and Computation 8, 3243 (2012)

How to Convert SPME to P3M: Influence Functions and Error Estimates

V. Ballenegger
J. J. Cerdà
C. Holm

Journal of Chemical Theory and Computation 8, 936 (2012)

Particle-particle particle-mesh method for dipolar interactions: On error estimates and efficiency of schemes with analytical differentiation and mesh interlacing

Joan J. Cerdà
V. Ballenegger
C. Holm

The Journal of Chemical Physics (2011) 135 (18)

Removal of spurious self-interactions in particle–mesh methods

V. Ballenegger
J.J. Cerdà
C. Holm

Computer Physics Communications 182, 1919 (2011)

Using fit functions in computational dielectric spectroscopy

Christian Schröder
Othmar Steinhauser

The Journal of Chemical Physics (2010) 132 (24)

Interlaced P3M algorithm with analytical and ik-differentiation

Alexey Neelov
Christian Holm

The Journal of Chemical Physics (2010) 132 (23)

Erratum: “On mesh-based Ewald methods: Optimal parameters for two differentiation schemes” [J. Chem. Phys. 128, 214106 (2008)]

Harry A. Stern
Keith G. Calkins

The Journal of Chemical Physics (2008) 129 (6)

On mesh-based Ewald methods: Optimal parameters for two differentiation schemes

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

On mesh-based Ewald methods: Optimal parameters for two differentiation schemes

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only