Web based distributed computing environment for nanotechnology

D. Chen, A. Raghunathan, J. Mashl, S. Chiu, S. Parker, N. Aluru, E. Jakobsson

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

One promising path of computational nanoscience is the integration of device design tools and computational chemistry tools to design molecular device components. In order to improve the efficiency of the design process and also let the device designer who is not necessarily a computational scientist use these device design tools easily, we have created a web based distributed computing system to connect client layer, web server layer and parallel computing server layer to link the jobs submission, computation, result retrieval and visualization together, and run the jobs automatically. This web based distributed computing enterprise, NanoGromacs, employs the open source molecular dynamics package Gromacs for simulation, and the open source visualization program PyMOL for visualization. NanoGromacs is freely accessible to general computational nanoscience community.

Original languageEnglish (US)
Title of host publication2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings
EditorsM. Laudon, B. Romanowicz
Pages720-723
Number of pages4
StatePublished - 2005
Event2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 - Anaheim, CA, United States
Duration: May 8 2005May 12 2005

Publication series

Name2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings

Other

Other2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005
Country/TerritoryUnited States
CityAnaheim, CA
Period5/8/055/12/05

Keywords

  • Computational
  • Distributed computing
  • Nanofluidics
  • Nanotechnology

ASJC Scopus subject areas

  • Engineering(all)

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