164 citations · 884 across the 22 of their papers we have counts for
22 papers
GPU molecular dynamics: Algorithms and performance
D C Rapaport
A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture. Algorithm modifications are described, together with exten…
Molecular dynamics study of T=3 capsid assembly
D. C. Rapaport
Molecular dynamics simulation is used to model the self-assembly of polyhedral shells containing 180 trapezoidal particles that correspond to the T=3 virus capsid. Three kinds of p…
Packaging stiff polymers in small containers: A molecular dynamics study
D. C. Rapaport
The question of how stiff polymers are able to pack into small containers is particularly relevant to the study of DNA packaging in viruses. A reduced version of the problem based…
Molecular dynamics simulation: a tool for exploration and discovery using simple models
D. C. Rapaport
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when a…
Molecular dynamics simulation of reversibly self-assembling shells in solution using trapezoidal particles
D. C. Rapaport
The self-assembly of polyhedral shells, each constructed from 60 trapezoidal particles, is simulated using molecular dynamics. The spatial organization of the component particles i…
Evaluating cumulative ascent: Mountain biking meets Mandelbrot
D. C. Rapaport
The problem of determining total distance ascended during a mountain bike trip is addressed. Altitude measurements are obtained from GPS receivers utilizing both GPS-based and baro…