Talk on KIM at the TMS Conference in San Diego (17-Feb-2014)

02-Feb-2014

The KIM Director, Prof. Ellad Tadmor, will be giving a talk on the KIM project at the TMS Annual Meeting & Exhibition in San Diego, CA on Monday, February 17, 2014. The talk is in a symposium honoring the contributions of Dr. Michael I. Baskes (http://www.programmaster.org/PM/PM.nsf/UpcomingSymposia/A5609DA08AAC1377852579B9007CB04B?OpenDocument&ParentUNID=CCEF4E8CAEF7CB7A85257839004F9CE3)

The title and abstract for the talk follow. For more information on the TMS conference, visit: http://www.tms.org/meetings/annual-14/AM14home.aspx

Title: "Ensuring Reliability, Reproducibility and Transferability in Atomistic Simulations: The Knowledgebase of Interatomic Models (OpenKIM.org)"

Abstract:

Atomistic simulations using empirical interatomic potentials play a key role in realistic scientific and industrial applications. This talk describes a current NSF-CDI funded effort to develop an open source online tool for promoting the use and reliability of interatomic models. The open Knowledgebase of Interatomic Models (https://openkim.org) allows users to compare model predictions with reference data, to generate new predictions by uploading simulation test codes, and to download models conforming to an application programming interface (API) standard that has been developed in collaboration with atomistic simulation community. An overview of the KIM project will be given along with recent developments related to the KIM API, a new data structure for representing arbitrary material properties, and metrics for transferability. The OpenKIM portal will be demonstrated using the current repository of models which includes a large number of parameterizations of the embedded-atom method (EAM) potential originally developed by Michael Baskes.