Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...
Trevor M. Cickovski, Santanu Chatterjee, Jacob Wen...
Driven by the increasing componentization of scientific codes, the deployment of high-end system infrastructures such as the Grid, and the desire to support high level problem so...
Pilsung Kang 0002, Mike Heffner, Joy Mukherjee, Na...
Scripting languages enjoy great popularity due their support for rapid and exploratory development. They typically have lightweight syntax, weak data privacy, dynamic typing, powe...
Bard Bloom, John Field, Nathaniel Nystrom, Johan &...
Embodied agents or humanoid avatars may effectively be used to communicate with human users. Currently there is a wide range of specification formalisms and scripting languages f...
We describe how we have parallelized Python, an interpreted object oriented scripting language, and used it to build an extensible message-passing molecular dynamics application f...