'Computational workflow' presentation slideshows

368 views • 23 slides

Computational WorkFlow

Computational WorkFlow. From the initial structures to their computed thermodynamical properties. Workflow of the HORIZONT. Terminated output (.log). Initial input (. sdf ). Run n able input (.com). Input preparation. Output with no error termination Normal term. Conv. Crit. Freq

198 views • 10 slides

CC-NIE ADAMANT

CC-NIE ADAMANT. Transforming Computational Science with ADAMANT (Adaptive Data-aware Multi-domain Application Network Topologies) RENCI/UNC Chapel Hill (Ilia Baldine ibaldin@renci.org ) Duke University (Jeff Chase chase@cs.duke.edu ) USC/ISI ( Ewa Deelman deelman@isi.edu )

203 views • 5 slides