Team

Noam Bernstein

Research Physicist

Naval Research Laboratory

http://cst-www.nrl.navy.mil

Dr. Bernstein has been involved with the KIM project since its early stages, although he is not one of the official PIs of the project. His interests and experience in the development, implementation, and application of potentials and application codes (Models and Tests in KIM's language) have led to his involvement in the technical aspects of KIM, primarily developing the requirements document (RD) and in particular requirements for the application programming interface (API).

Matt Bierbaum

Research Assistant, Department of Physics

Cornell University

http://www.lassp.cornell.edu/sethna

Matt is a graduate student working with Jim Sethna at Cornell University. He is developing the pipeline infrastructure, online interface, and writing tests for OpenKIM.

Ryan S. Elliott

Associate Professor of Aerospace Engineering and Mechanics

University of Minnesota

http://www.aem.umn.edu/~elliott

Prof. Elliott is one of the PIs of the KIM project. He is involved in many aspects of KIM including dealing with paperwork, defining the goals of the KIM project by contributing to the KIM requirements document (RD), helping to shape and create the KIM application programming interface (API), providing feedback on the design of the OpenKIM.org website, and increasing the visibility of the KIM project within the atomistic modeling community. Prof. Elliott is the KIM Editor.

Daniel S. Karls

Post-doctoral associate, Aerospace Engineering and Mechanics

University of Minnesota

http://www.aem.umn.edu

Dan is a recently graduated post-doc working with Prof. Elliott and Prof. Tadmor investigating the concept of transferability of empirical potentials. His dissertation, available online here, explores an abstract framework for categorizing interatomic potentials in terms of both the representations they use to describe atomic configurations, as well as their overall means of computing forces and energies using these representations. Under this framework, a method known as the Regression Algorithm for Transferability Estimation (RATE) is devised which permits the quantitative assessment of the transferability of an empirical potential based on prior observations of its accuracy.

Ronald E. Miller

Professor of Mechanical and Aerospace Engineering

Carleton University

http://www1.carleton.ca/mae/people/ronald-e-miller

Professor Miller has been involved with the KIM project since its original conception. His interest is in developing a reliable source for potentials and data regarding their predictions of material properties. Prof. Miller is a Member of the KIM Board.

John Nissen-Hooper

University of Minnesota

http://www.aem.umn.edu

John is an undergraduate student at the University of Minnesota, who is currently working towards a computer science degree. He graduated in 2012 with honors for a degree in Italian Studies. He is now working on developing web applications for both static and interactive data visualizations.

James P. Sethna

Professor of Physics

Cornell University

http://www.lassp.cornell.edu/sethna

Prof. Sethna is a co-PI of the KIM project. He is broadly engaged in the KIM project. He is currently focusing on the development of Tests motivated by the requirements of multiscale modeling. (If vacancies and surfaces are important in an application, one wants an interatomic potential that has correct vacancy and surface energies, energy barriers, and prefactors in the temperature and stress regions of interest. We use tailor-made functional forms to minimize the number of Tests needed to provide reasonable assurance that these properties are correct for a much wider range of geometries and conditions.) He is also interested in implementing Bayesian parameter ensembles for estimating the systematic errors of interatomic potentials.

Ellad B. Tadmor

Professor of Aerospace Engineering and Mechanics

University of Minnesota

http://www.aem.umn.edu/~tadmor

Prof. Tadmor is one of the PIs of the KIM project. He is involved in many aspects of KIM including dealing with paperwork, defining the goals of the KIM project by contributing to the KIM requirements document (RD), helping to shape the KIM application programming interface (API), guiding the design of the OpenKIM.org website, and liaising with the KIM membership. Prof. Tadmor was also elected "KIM Director" at the KIM Inaugural Workshop held in San Diego on February 26-27, 2011.

Mingjian Wen

University of Minnesota

http://www.aem.umn.edu

Mingjian is a Ph.D. student working with Prof. Tadmor and Prof. Elliott to build up a KIM-based potential fitting algorithm. The first step it to adapt potfit, a force-matching method to generate potentials, to be KIM compatible. Then we'll extend potfit's ability to grab reference data from KIM directly and even use KIM Tests as reference data. Once it is done, the users only need to specify the KIM Models they want to fit, and select KIM reference data and KIM Tests as the training base, then KIM will take over to give reliable parameters for the KIM Models.

Silicon Life Sciences
Software Development

Alex Alemi

Research Assistant, Department of Physics

Cornell University

http://pages.physics.cornell.edu/~aalemi

Alex Alemi is a graduate student of Prof. Sethna working on the KIM Project. He is developing Tests for the KIM Models, currently focusing on material defects.

Colin Clement

Cornell University

http://www.lassp.cornell.edu/sethna

Colin is a graduate student working with Jim Sethna at Cornell University. He is using Bayesian ensembles to estimate the systematic errors of models.

Adam Ludvik

University of Minnesota

http://www.aem.umn.edu

Adam Ludvik is an undergraduate student at the University of Minnesota. He is developing web applications for visualizing and post-processing data from the database.

Valeriu Smirichinski

Post-Doctoral Research Associate, Aerospace Engineering and Mechanics

University of Minnesota
smirvi@gmail.com

http://www.aem.umn.edu

Dr. Smirichinski is the main developer of the KIM application programming interface (API) for atomistic simulations. This is a cross-language environment (F77, F90, F2003, C, C++, Python and possible future use of Java) which allows any interatomic model to work seamlessly with any atomistic simulation code. Dr. Smirichinski is also an active participant in the development of the KIM requirements document and the KIM API documentation. He has given numerous talks on KIM and the KIM API and is actively working with members of the scientific community to facilitate the adoption of the KIM API standard.