2 papers
cs.AR2022
The Specialized High-Performance Network on Anton 3
Keun Sup Shim, Brian Greskamp, Brian Towles +3
Molecular dynamics (MD) simulation, a computationally intensive method that provides invaluable insights into the behavior of biomolecules, typically requires large-scale paralleli…
physics.comp-ph2019
The -series: A separable decomposition for electrostatics computation with improved accuracy
Cristian Predescu, Adam K. Lerer, Ross A. Lippert +4
The evaluation of electrostatic energy for a set of point charges in a periodic lattice is a computationally expensive part of molecular dynamics simulations (and other application…