News archive

kim-api-v2.0.0-beta.2 released

28-Oct-2018

The KIM development team is pleased to announce the release of a significant new beta version of the KIM API V2 package. See the documentation.


New OpenKIM Advisory Board unanimously approved

03-Aug-2018

The KIM membership voted unanimously to approve the new OpenKIM Advisory Board.


kim-api-v2.0.0-beta.1 and kim-api-v1.9.7 released

07-Jul-2018

The KIM development team is pleased to announce the release of new versions of the KIM API package. In v2 we have introduced Neighbor List Hints. See the documentation. In v1 there are bug fixes and enhancements.


Three "OpenKIM Coding Sprints" to be held this summer

27-Jun-2018

Three "Coding Sprints" funded by the IMA will be held this summer at the University of Minnesota to develop software related to the KIM project. KIM Team members will work with external experts on focused programming projects.


kim-api-v2.0.0-beta.0 released

26-Jun-2018

The KIM development team is pleased to announce the release of version 2.0.0-beta.0 of the KIM API package. The v2 package has been completely rewritten, offering a simpler interface with many improvements and new features. See the documentation


kim-api-v1.9.6 released — new install options, minor improvements and bug fixes

26-Jun-2018

kim-api-v1.9.6 released with minor improvements to the installation process and bug fixes.


kim-api-v1.9.5 released — minor improvements and bug fixes

12-May-2018

kim-api-v1.9.5 released with minor improvements to the installation process and bug fixes.


openkim.org down for maintenance

08-May-2018

Some openkim.org functionality will be temporarily unavailable due to security and maintenance upgrades. The site is expected to be back by Wed 09-May-2018 noon CDT. We apologize for any inconvenience.


OpenKIM seeks help to address KIM API incompatibility on Apple macOS

30-Apr-2018

Due to a bug in gfortran, it is not possible to install the KIM API on Apple macOS. A workaround is available, but we seek help from our users to find a better solution.


Call for Nominations for the KIM Board

23-Apr-2018

Three members of the KIM Board are retiring. Nominations are invited from KIM Members for new Board members by 30-Apr-2018.


KIM Quarterly Update (April 2018)

16-Apr-2018

The KIM Quarterly Update for April 2018 has been published with highlights of recent developments and planned next steps.


New vacancy formation and migration energy tests

13-Apr-2018

New test drivers for monovacancy formation and migration energies in monoatomic cubic and hcp crystals are now online at openkim.org.


kim-api-v1.9.4 released — minor improvements and bug fixes

09-Apr-2018

kim-api-v1.9.4 released with minor improvements to the installation process and bug fixes.


Interesting Results from the 2018 "OpenKIM Survey On the Future of Molecular Simulation"

30-Mar-2018

The "OpenKIM Survey On the Future of Molecular Simulation" was conducted during Dec 20, 2017 to Jan 8, 2018 to help set development priorities for the KIM project. The results provide insight into current practice and future trends in the field.


Two new tests: Linear Thermal Expansion and Stacking Energies for Cubic Crystals

14-Mar-2018

Tests that compute the linear thermal expansion coefficient and a variety of stacking energies for cubic crystals are now available on OpenKIM.


New "Table Visualizer" for Cubic Crystal Properties

15-Feb-2018

A new type of visualizer displaying tabulated information is now available on openkim.org. The table compares the results of different models for key properties of cubic crystals.


New verification check for "Thread Safety"

04-Feb-2018

The thread safety verification check examines whether a model called in parallel by multiple threads gives the same results as when called sequentially.


kim-api-v2.0.0-alpha.0 released - Looking for user/community feedback

18-Jan-2018

The KIM development team is pleased to announce the release of version 2.0.0-alpha.0 of the KIM API package. The package has been completely rewritten, offering a simpler interface with many improvements and new features.


New discussion forum for interacting with model developers

02-Jan-2018

The new openkim-model-developers group has been set up as a forum where interatomic model developers can talk with each other, and where researchers can contact developers to discuss existing models, and explore opportunities for developing new models.


Help set priorities for the OpenKIM Project

20-Dec-2017

Researchers engaged in classical molecular simulations are invited to take a short survey to help the OpenKIM project plan its next development phase. Take the Survey.


New "Verification Checks" ensure interatomic model coding integrity

18-Dec-2017

Interatomic models stored in OpenKIM are now subjected to a suite of "Verification Checks" that put the models through their paces and check that they are programmed correctly.


kim-api-v1.9.1 released — minor improvements and bug fixes

27-Sep-2017

kim-api-v1.9.1 released with minor improvements to the installation process and bug fixes.


kim-api-v1.9.0 released — new "collections management" utility to install/remove KIM models

11-Sep-2017

The KIM development team is pleased to announce the release of version 1.9.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes dramatic simplifications to the build sysem including a new collections-management user utility to help install and manage models and model drivers.


kim-api-v1.8.2 released — bug fixes

17-Apr-2017

kim-api-v1.8.2 released with bug fixes.


kim-api-v1.8.1 released — bug fixes

28-Mar-2017

kim-api-v1.8.1 released with bug fixes.


kim-api-v1.8.0 released — new "collections-info" utility to provide information on the kim-api installation

17-Jan-2017

The KIM development team is pleased to announce the release of version 1.8.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes improvements to the build system and a new collections-info utility to provide configuration information on the kim-api installation, and to get a list of installed models and model drivers.


New article on "The atomistic representation of first strain-gradient elastic tensors" published in JMPS

06-Jan-2017

A new article by Nikhil Admal and co-workers has been published in JMPS on the atomistic representation of strain-gradient elasticity tensors for arbitrary multilattice crystals. The formulation is implemented as a KIM Test and applied to all compatible models in the OpenKIM repository.


New article on "A KIM-compliant Potfit for fitting sloppy intertomic potentials" published in MSMSE

29-Nov-2016

A new article by Mingjian Wen and co-workers has been published in MSMSE on a KIM-compliant implementation of the Potfit force-matching interatomic potential fitting program. The package includes a new optimization algorithm that performs well for fitting interatomic potentials that are insensitive ("sloppy") with respect to some parameters.


Doctoral dissertation by Daniel Karls on the "Transferability of Empirical Potentials and the Knowledgebase of Interatomic Models (KIM)"

22-Sep-2016

Daniel Karls successfully defended his Ph.D. thesis at the University of Minnesota on the "Transferability of Empirical Potentials and the Knowledgebase of Interatomic Models (KIM)." Dr. Karls' dissertation provides an introduction to interatomic models from a new perspective and a discussion of machine learning methods for assessing their transferability, i.e. the ability of a model to describe behavior outside its training set.


Binary installation packages now available for the KIM API for several Unix systems

17-Jul-2016

In an ongoing effort to make it easier to install and use the KIM application programming interface (API), binary installation packages are now available for Ubuntu, CentOS, Fedora and openSUSE. On these systems, the KIM API can be installed with a single command.


kim-api-v1.7.3 released — new configure script and other minor improvements

02-Jun-2016

kim-api-v1.7.3 released with a new configure script to customize installations for specific systems, other minor improvements to the installation process, and bug fixes.


"OpenKIM Directory of Interatomic Model Developers" launched!

27-May-2016

A directory of developers of interatomic models is now available on the OpenKIM website. The directory lists researchers engaged in the development of interatomic potentials and force fields along with contact information and details about their work.


LAMMPS 'pair_style kim' command extended to support 'pair_style hybrid' and 'fix adapt'

13-Mar-2016

The pair_style kim command, which allows KIM Models to be used with LAMMPS, has been extended to support the pair_style hybrid and fix adapt commands, as specified in the LAMMPS documentation.


New article on "Interpolation effects in tabulated interatomic potentials" published in MSMSE

17-Nov-2015

A new article by Mingjian Wen and co-workers has been published in MSMSE on interatomic models that include functions represented as tables of discrete values with spline interpolation. It is shown that the nature of the interpolation affects model predictions. This highlights the importance of archiving the interatomic model implementation along with model parameters as done in OpenKIM.


New test results for vacancy formation and migration energies and relaxation volume posted for fcc and hcp crystals for most elements.

17-Nov-2015

New test results for vacancy formation and migration energies and relaxation volume posted for fcc and hcp crystals for most elements.


DFT reference data uploaded from the Materials Project into OpenKIM

04-Nov-2015

Over 74,000 items of DFT reference data, including equilibrium crystal structures, cohesive energies, and elastic moduli, have been uploaded into the OpenKIM Repository from the Materials Project.


Model predictions now viewable using human-readable "property synopses"

21-Oct-2015

Model predictions (aka Test Results) are stored in machine readable form as EDN files. A new Property Synopsis mechanism has been created to display this information in human-readable form on KIM Model pages.


We are in the process of regenerating our repository. Some content and visualization may not be available during this process.

23-Sep-2015

We are in the process of regenerating our repository. Some content and visualization may not be available during this process.


KIM Quarterly Update (August 2015) — What's new with the KIM project?

13-Aug-2015

KIM Quarterly Update


KIM API version 1.6.0 released — package layout & model location updates

28-Jul-2014

The KIM development team is pleased to announce the release of version 1.6.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes significant changes to the package directory structure layout, improved build tools, and removal of the deprecated Fortran Cray pointer support.


Online KIM Boot Camp on August 12, 2014

22-Jul-2014

An online KIM Boot Camp will be held on Tuesday August 12, 2014 from 8:00am to 4:00pm CDT. The objectives of the Boot Camp are to teach researchers how to make models and simulators "KIM-compliant" (i.e. compatible with the KIM API), how to develop tests that can be uploaded to KIM to run against the models stored there, and how to develop visualizers for viewing content in the KIM repository. The event will be held at University of Minnesota and broadcast live on the web. Participation is free. To register, email your name and affiliation to Ellad Tadmor at tadmor@umn.edu


KIM API version 1.5.0 released — build system updates

16-Jul-2014

The KIM development team is pleased to announce the release of version 1.5.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes significant updates to the build system to improve the way the package is installed to standard system directories and provides for each user on the system to have their own personal set of Models that the KIM API can access. See the INSTALL file for details.


KIM Workshop for Content Contributors in August 2014

20-Jun-2014

A workshop for researchers interested in contributing content to KIM, called a "KIM Content Carnival" will be held at the University of Maryland during August 18-21, 2014 in College Park, MD. Participation is free but by invitation only (some travel support may be available). For more details and instructions on how to apply see https://openkim.org/news/2014-06-20/.


KIM Symposium at SES 2014 Conference

27-Feb-2014

A symposium titled "Interatomic Models in Materials Simulations: Theory, Standards, Infrastructure, and Applications" focused on the KIM project and related efforts will be held at the Society for Engineering Science (SES) Annual Technical Conference at Purdue University, on October 1-3, 2014 (www.conf.purdue.edu/ses2014).


KIM API version 1.4.0 released — new: Fortran 2003 bindings

26-Feb-2014

The KIM development team is pleased to announce the release of version 1.4.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes a major update to the api. We have added a complete set of api bindings for Fortran 2003 using the iso_c_binding module. The previous Fortran bindings (using Cray pointers) are now deprecated and will be removed in a future release. All example Model Drivers, Models, and Tests have been updated to take advantage of the new F03 bindings. Additionally, the make system has been updated to be more robust and the documentation has been updated.


Open KIM open for business!

13-Feb-2014

After several years of extensive development, we now have a working website (https://openkim.org) with a repository and a processing pipeline that automatically couples interatomic models (potentials and force fields) and tests (simulations that compute material properties) to generate predictions.


Talk on KIM at the MMVMB II Conference in Berkeley (14-Feb-2014)

05-Feb-2014

The KIM Editor, Prof. Ryan S. Elliott, will be giving a talk on the KIM project at the Multiscale Methods and Validation in Medicine and Biology II: Biomechanics and Mechanobiology conference on Thursday, February 14, 2014.


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.


Talk on KIM at the STFC in Daresbury, England (24-Feb-2014)

01-Feb-2014

The KIM Editor, Prof. Ryan S. Elliott, will be giving a talk on the KIM project at the Computational Science and Engineering Department of Science & Technology Facilities Council (STFC), in Daresbury, Cheshire, UK on Thursday, February 24, 2014.


New article on "NSF Cyberinfrastructures: A New Paradigm for Advancing Materials Simulations" published in COSSMS

30-Jan-2014

A new article by Ellad Tadmor and co-workers just published in COSSMS provides an introduction to online frameworks called "cyberinfrastructures" and describes the OpenKIM and CAMS projects supported by the National Science Foundation (NSF).


KIM API version 1.3.1 released

20-Jan-2014

The KIM development team is pleased to announce the release of version 1.3.1 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes updates to the make system, bug fixes, better support of CYGWIN systems, portability improvements, and a fix in order to work with gnu make 3.81.


Updated pair_style kim release in LAMMPS 3Aug13

26-Jul-2013

The KIM development team is please to announce the release of a openkim-api-v1.2.0 compatible version of the LAMMPS pair style kim. The version of pair_style kim is available in the August 3th, 2013 version of lammps (lammps-3Aug13).


KIM API version 1.2.0 released

12-Jul-2013

The KIM development team is pleased to announce the release of version 1.2.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes a completely redesigned Make system with many new features and benefits, a new NEIGH_RVEC_H NBC, a streamlined scheme for specifying a Model (or Model Driver name) and its associated “model_init()” function name, other minor changes to the api, bug fixes, portability improvements, and some new examples.


KIM Content Carnival in Singapore (October 9-12, 2012)

20-Jul-2012

Come to Singapore this fall during October 9-12, 2012 for a 4-day free event, to learn about KIM and make your potential compatible with the KIM Application Programming Interface (API).


KIM API version 1.1.0 released

12-Jul-2012

The KIM development team is pleased to announce the release of version 1.1.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes many bug fixes, portability improvements, an updated Model Driver interface, and some minor changes to functionality.


KIM Content Carnival in Aachen, Germany (August 20-23, 2012)

21-May-2012

Come to Aachen, Germany this summer during August 20-23, 2012 for a 4-day free event, to learn about KIM and make your potential compatible with the KIM Application Programming Interface (API).


First stable version of the KIM API released

23-Feb-2012

The KIM development team is pleased to announce the release of version 1.0.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. The interface is computationally efficient and often requires relatively minor changes to existing codes.


KIM Board Election Results

07-Feb-2012

The slate of nominees for the KIM Board (Ronald Miller, Sadasivan Shankar and Aidan Thompson) suggested by the Nominating Committe has been unanimously approved by the KIM Membership.


KIM Content Carnival (March 13-16, 2012)

28-Jan-2012

Come to Minnesota during spring break on March 13-16, 2012 for a 4-day event, all expenses paid, to learn about KIM and make your potential compatible with the KIM Application Programming Interface (API).


KIM Short Course at TMS 2012

13-Dec-2011

A one-day short course on atomistic simulations using standardized interatomic potentials will be held at TMS 2012 Annual Meeting & Exhibition in Orlando, FL on Sunday, March 11, 2012. The course will cover the basics of atomistic simulations and introduce participants to the use of potentials that conform to the KIM application programming interface (API).


KIM seeking candidates for NSF CI TraCS fellowship

23-Sep-2011

The KIM project is seeking a postdoctoral candidate to sponsor for an NSF Fellowship for Transformative Computational Science using CyberInfrastructure (CI TraCS). The successful candidate will work closely with the KIM PIs to develop a comprehensive and detailed CI TraCS proposal based on the needs and goals of the KIM project. Applications are due by Monday, November 14, 2011.


Nominees sought for KIM Board

20-Sep-2011

The KIM membership is invited to nominate candidates to serve on the KIM Board. Nominations must be received by Friday, September 30, 2011.


KIM Requirements Document Launched

20-Sep-2011

The KIM development team is pleased to announce that the KIM Requirements Document (RD) is now available online here. RDs are common in industry where they are used to fully define all aspects of new products during the development stage. The KIM RD addresses topics ranging from the organization and governance of KIM to the details of the KIM application programming interface (API).


KIM API version 0.2.0 released

15-Sep-2011

The KIM development team is pleased to announce the release of version 0.2.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. The interface is computationally efficient and often requires relatively minor changes to existing codes.


Alpha version of KIM API released

08-Aug-2011

The KIM development team is pleased to announce the release of version 0.1.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. The interface is computationally efficient and often requires relatively minor changes to existing codes.


New article on "The Potential of Atomistic Simulations and the Knowledgebase of Interatomic Models" published in JOM

30-Jul-2011

A feature article by Ellad Tadmor and co-workers published in JOM introduces the Knowledgebase of Interatomic Models (KIM) project.


KIM Short Course at USNCCM 11

01-Jul-2011

A 1-day short course on atomistic simulations using standardized interatomic potentials will be held at the US National Congress on Computational Mechanics in Minneapolis, MN on July 24, 2011. The course will cover the basics of atomistic simulations and introduce participants to the use of potentials that conform to the KIM application programming interface (API).


KIM Inaugural Meeting held in San Diego

01-Mar-2011

The KIM project had its Inaugural Meeting in San Diego, CA, on February 26-27, 2011. Important steps were taken at this meeting to define the goals and structure of KIM based on the needs of the atomistic simulation community.