status: Recognised & Endorsed

Chair (s): James Warren, Laura Bartolo, Takuya Kadohira, Alysia Garmulewicz, Matthew Evans

Group Email: [group_email]

Secretariat Liaison: [field_secretariat_liaison]

Status: Recognised & Endorsed

The development of advanced materials inherently rests on access to a distributed materials infrastructure and materials research data to fuel discovery and innovation.  RDA aims to accelerate and facilitate research data sharing and exchange. Similarly, CODATA works to strengthen international science for the benefit of society by promoting improved scientific and technical data management and use.  Given these complementary missions, this RDA IG and the CODATA TG will work together under the following statement in support of the exchange of material data.  

The success of the scientific endeavor rests on the foundation of free and open exchange of ideas and supporting data.   We believe this kind of exchange with computational and experimental materials data through shared online repositories, standardized formats and terminologies and open programming interfaces is essential to accelerating the discovery, design, and development of advanced materials.  Making this data widely and freely available, as a "public good", creates increased opportunities for conducting fundamental research while facilitating potential commercial development activity of data-based services, tools, and applications.  It therefore follows that it is in the scientific and economic interest of all countries to operate under this framework of free and open data exchange to the greatest extent possible, in such cases where it does not infringe on intellectual property  or national security.


Contact persons for this group:

  • James Warren (National Institute of Standards and Technology, USA)
  • Laura Bartolo (Northwestern University, USA)
  • Takuya Kadohira (Asia) Group Leader, NIMS
  • Matthew Evans (EU) Postdoctoral Researcher, Universitè catholique de Louvain                                                                                                                                                                                                                                                                                                                                                                                                                                        
  • Alysia Garmulewicz(South America),  Profesora Asociada, Universidad de Santiago de Chile


Plenary participation


LIMS, LLMs, Schemas, Ontologies & Terminology Services: Current Materials & Engineering Sciences Efforts

This session will present updated work in four areas: 1) Laboratory Management Systems (LIMS); 2) Ontologies; 3) Common LIMS schema & Terminology Services and 4) Large Language Models (LLM). The session introduction will highlight potential connections across the four areas. Specifically, knowledge representations, such as ontologies and schemas, are used to classify and interpret identified datasets while algorithms, implemented into powerful tools, such as Large Language Models (LLM), are used to perform a variety of inferential tasks, analyses, and interpretations, through deep integrations of data and schema/ontological semantics.  In addition, when schemas, ontologies and LLMs, as well as other tools and services, such as The Terminology Service, are integrated into data infrastructures, such as Laboratory Management Systems (LIMS), organizations can manage and inter-connect scientific workflows in a scalable fashion.  Concluding with an update of the new Working Group on Materials Ontologies, the session will provide specialized presentations of particular efforts - ontologies, schemas, LLMs, LIMS and terminology services - as well as a unified picture of how processes interact. 


Automation of LIMS for Data Analysis and Reuse: Joint Meeting

This session will focus on Laboratory Information Management Systems (LIMS).  "Laboratory Information Management Systems (LIMS) provide a framework for managing data from the outset of the research life cycle delivering new capabilities for machine learning, data analysis, collaboration, and dissemination."1 After the LIMS presentations, there will be a presentation about possibly holding connect-a-thon events at future meetings. The purpose of connect-a-thon events is to bring together multi-disciplinary teams to verify, explore, discover, or prototype important scenarios that particular LIMS systems must be able to handle; one scenario, transaction, or process at a time. In this way, groups can begin to work together even for part of an afternoon (say, 2-3 hours), to focus upon particular events, functions, or common tasks involving key processes recurring in LIMS systems – such as those involving samples, simulations, experiments, and data sharing. Teams can use connect-a-thons anywhere in the process for development of high-value LIMS use-cases. For efforts or systems in more advanced developmental stages, participants can formalize and prepare data, schemas, models, interactions, and/or scenarios in advance and can use the time to perform an actual test of expected functionality and integration. For those in earlier stages, the time can be leveraged opportunistically to actively prototype, explore approaches, and to explore actual steps needed to handle proposed scenarios. Over time, such events can facilitate community exploration and discussion leading toward increased interoperability and coordination over time.

1. Greene, G. , Ragland, J. , Trautt, Z. , Lau, J. , Plante, R. , Taillon, J. , Creuziger, A. , Becker, C. , Bennett, J. , Blonder, N. , Borsuk, L. , Campbell, C. , Friss, A. , Hale, L. , Halter, M. , Hanisch, R. , Hardin, G. , Levine, L. , Maragh, S. , Miller, S. , Muzny, C. , Newrock, M. , Perkins, J. , Plant, A. , Ravel, B. , Ross, D. , Scott, J. , Szakal, C. , Tona, A. and Vallone, P. (2022), A Roadmap for LIMS at NIST Material Measurement Laboratory, Technical Note (NIST TN), National Institute of Standards and Technology, Gaithersburg, MD, [online],, (Accessed December 12, 2022)


Materials Data Interest Group Meeting

  1. IG & WG news update (10 min  :00-:10)