SPFP: Speed without compromise - A mixed precision model for GPU accelerated molecular dynamics simulations

By Scott M. Le Grand, Andreas W. Götz, Ross C. Walker. Computer Physics Communications, 2013

1,020 citations recorded by the source corpus.

Subfields: Hardware and Architecture, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/76a754b53540c70a2a77f11d97b0193a6c671233

How researchers see this paper

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

In Hardware and Architecture

1. Daniel M. Zuckerman
2. Lillian T. Chong

In Materials Chemistry

1. Daniel M. Zuckerman
2. Lillian T. Chong
3. David A. Case
4. Ross C. Walker
5. Freddie R. Salsbury Jr.

In Molecular Biology

1. Romelia Salomón-Ferrer
2. Ross C. Walker
3. David A. Case
4. Lillian T. Chong
5. Daniel M. Zuckerman
6. Junmei Wang
7. Alexey V. Onufriev
8. Freddie R. Salsbury Jr.

Citations in the corpus

• An overview of the Amber biomolecular simulation package (2013, background): “The performance enhances are discussed in greater detail on the Amber Web site 13 and in Refs 17–19.”
• Weighted Ensemble Simulation: Review of Methodology, Applications, and Software (2017, positive): “Dramatic improvements in achievable computing speed based on hardware advances (44, 56, 60) have transformed the field of biomolecular simulation.”