TMS 2012: Continuing Education:
Atomistic Simulations Using Standardized Interatomic Potentials
March 11-15, 2012 • Orlando, FL
Who should attend:
Professors, postdoctoral fellows and graduate students with an interest in computational atomistic
modeling. No prior knowledge in atomistic simulations is required, although participants are expected
to have the equivalent of an undergraduate degree in one of the science or engineering disciplines.
Proficiency in one or more of the following computer languages is required: C, C++, FORTRAN 77, Fortran
90 or Fortran 2003. Participants should bring a laptop computer with wireless internet capabilities
for use during the hands-on part of the course.
Download the Course Flier (PDF).
Atomistic or molecular simulations of materials have the potential to play a key role in the development
of innovative technology to address many problems the world is currently facing (including climate
change, energy generation and distribution, and terrorism). In order to model the large numbers of
atoms required for many applications, and to be able to study their dynamics over reasonable time
scales, it is generally necessary to develop approximate models of interatomic bonding, referred to as
"interatomic potentials" or "interatomic models". Once such a model is at hand, one can theoretically
use it to predict almost any mechanical property, thermal property or behavior of the element (or
elements) it purports to describe.
This short course will introduce participants to atomistic simulation techniques and to a current international
effort to establish the "Knowledgebase of Interatomic Models," (KIM), which attempts to address
some of the practical limitations of this approach. The KIM project (http://openKIM.org) has the following
main objectives: (1) development of an online resource for standardized testing, long-term warehousing
and easy retrieval of interatomic potentials and data. This includes the development of application
programming interface (API) standards for coupling simulation codes and interatomic potential
subroutines written in different languages; and (2) development of a quantitative theory of interatomic
potential transferability providing rigorous criteria for selecting potentials for given applications and
error bounds on results. The course will include theoretical lectures as well as hands-on experience
performing atomistic simulations and learning about the KIM API.
Participants in the course will receive a copy of the book Modeling Materials: Continuum, Atomistic
and Multiscale Techniques by Ellad B. Tadmor and Ronald E. Miller (Cambridge University Press,
2011). For more information, visit http://www.modelingmaterials.org
- Prof. Ellad Tadmor, Prof. Ryan Elliott and Dr. Valeriu Smirichinski, Department of Aerospace Engineering and Mechanics, University of Minnesota, USA
- Prof. Ronald Miller, Department of Mechanical and Aerospace Engineering, Carleton University, Canada
Date and Time:
Sunday, March 11, 2012 | 8:30 a.m. – 4:30 p.m.
Member Fee: $525
Nonmember Fee: $575
Late Member Fee: $600
Late Nonmember Fee: $650
Cancellation Fee: $50
How to Register:
Meeting registrants may sign up for this course using the online registration form or register on-site at the registration desk.
FOR MORE INFORMATION...
For additional information regarding the TMS Annual Meeting & Exhibition, please complete the TMS Meetings Mailing List Form or contact:
184 Thorn Hill Road
Warrendale, PA 15086 USA
Tel: (724) 776-9000 x243
Fax: (724) 776-3770