An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware.

By M. Harvey, G. de Fabritiis. Journal of Chemical Theory and Computation, 2009

390 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/cde7821485897a1bb328c5fdb30b2be74588ad75

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Ross C. Walker
2. John E. Stone
3. Klaus Schulten
4. Ivan S. Ufimtsev
5. David J. Hardy
6. Andreas W. Götz
7. Daniel M. Zuckerman
8. Lillian T. Chong

In Molecular Biology

1. Ross C. Walker
2. John E. Stone
3. David J. Hardy
4. Klaus Schulten
5. Ivan S. Ufimtsev
6. Andreas W. Götz
7. Lillian T. Chong
8. Daniel M. Zuckerman

In Spectroscopy

1. Klaus Schulten
2. Ivan S. Ufimtsev
3. John E. Stone
4. David J. Hardy
5. Ross C. Walker

Citations in the corpus

• GPU-Accelerated Molecular Modeling Coming Of Age (2010, methodology): “ACEMD provides many features typically required for production simulations, including compatibility with CHARMM and AMBER force fields, long-range electrostatics with PME [53], temperature control, and hydrogen bond constraints.”
• SPFP: Speed without compromise - A mixed precision model for GPU accelerated molecular dynamics simulations (2013, background): “…of scientific applications has long been realized [2] [3] and mature implementations are available for molecular dynamics (MD) simulations of condensed phase biomolecular systems providing capabilities to researchers that can surpass traditional CPU-based implementations [4] [5] [6] [7] [8] [9].”