Atomistic simulations are increasingly being used as a tool to understand and predict properties of materials. The purpose of this workshop is to facilitate interactions between researchers in industry, academia, and government on issues related to the development and use of interatomic interaction potentials. Such issues include accuracy, standardization, evaluation methods, and exchange of data an information. Participants in this workshop should include representatives from academia, national labs and the automotive, aerospace, materials design and software, and advanced materials industries. This year the workshop will be fully remote. The first two days (August 5 and 6) will consist of 30-minute presentations and discussions from researchers in the community. A virtual poster session will be held on August 5th. The third day (August 7) will feature hour long workshops and demos for various community tools.
August 05, 2020
Session I: (3:00 pm - 3:30 pm EDT)
Session II: (3:30 pm - 4:00 pm EDT)
August 07, 2020
See here to install a virtual machine (VM) for KIM.
Demonstration Notebooks can be found on github: https://github.com/lmhale99/iprPy-demos. People can either view the notebooks from the github site or download/clone the repository and run the notebooks for themselves (requires python and a LAMMPS executable.)
Everybody can follow along from the presentation, and all content is at https://github.com/jan-janssen/pyiron-nist-workshop
See here for more details. All you need to do is get a nanoHUB account (free).
No setup: pre-release demonstration
No setup required: code functionality discussion and explanatory demonstration