× Notice! This site is currently being redesigned. Please let us know any feedback on the new design or if you find something incorrect/not working.

Workshops

Starting in 2008, a number of workshops have been held on "Atomistic Simulations for Industrial Needs." These workshops are designed to facilitate interactions between researchers in industry, government, and academia in order to identify and address obstacles to the wider use of atomic-scale simulation methods in quantitative industrial research and development. Topics for discussion have included:


Next Workshop

The next workshop is tenatively planned for fall 2020.


2018 Workshop

The 2018 workshop was held on August 1-3, 2018, at the NIST National Cybersecurity Center of Excellence (NCCoE) in Rockville, Maryland. The talks and discussions reflected trends in

Organizers: Lucas Hale and James Hickman (NIST Materials Measurement Laboratory), Shawn Coleman (Army Research Laboratory), and David Elbert (Johns Hopkins University).

Resources


2014 Workshop

The 2014 workshop was held on July 22-23, 2014, in Gaithersburg, Maryland. The focus of the workshop this year was materials for gas separations. We discussed quantum and classical atomistic simulations of Metal-Organic Frameworks and similar porous adsorbent materials along with experiments used in the validation and verification of these simulations.

Organizers: Chandler Becker, Fred Phelan, and Dan Siderius (NIST Materials Measurement Laboratory)

Resources:

2013 Workshop

The 2013 workshop was held August 13-14 at NIST in Gaithersburg, Maryland. The focus of the workshop this year was testing and validation related to interatomic potentials (force fields). We discussed what to test, how to do the calculations and analysis, and ways to make effective comparisons with experimental results and reference simulations.

Organizers: Chandler Becker, Fred Phelan, and Dan Siderius (NIST Materials Measurement Laboratory)

Resources:

2012 Workshop

The fifth annual Workshop on Atomistic Simulations for Industrial Needs was held on September 11-12, 2012, at the National Institute of Standards and Technology (NIST) in Gaithersburg, MD. The focus of the workshop was on atomistics and the Materials Genome Initiative (MGI) to increase the pace of materials development.

Specifically, at this workshop we discussed (among other things):

Organizers: Chandler Becker (NIST Metallurgy Division), Fred Phelan (NIST Polymers Division), and Dan Siderius (NIST Chemical and Biochemical Reference Data Division)

Resources:


2011 Workshop

The 2011 workshop was held on June 23-24, 2011 at NIST. There were a number of interesting discussions and presentations about what is necessary for successful industrial adoption of atomic-scale simulation, what it takes to have productive academic/industrial collaborations, tools to facilitate use of atomistics, and scientific studies and interatomic potentials of industrial relevance.

Resources:


2010 Workshop

Resources:


2009 Workshop

Resources:


2008 Workshop

Resources:

Date Created: October 5, 2010 | Last updated: September 25, 2018