SeMatS 2026
Semantic Materials Science 2026

Table of Contents

• Preface
  
  Summary: There were 16 papers submitted for peer-review to this workshop. Out of these, 12 papers were accepted for this volume.

Regular Papers:

• An Ontology for Machine Learning Interatomic Potentials 1-16
  Daniel Hernández, Jong Hyun Jung, Yuji Ikeda, Yongliang Ou, Pranav Kumar, Tom Schächtel, Wenchuan Liu, Xin Li, Xi Zhang, Xiang Xu, Lifang Zhu, Fritz Körmann, Steffen Staab, Blazej Grabowski
• Semantic Enrichment of Additive Manufacturing Technology Data for Machine Learning-based Optimization of Laser Beam Powder Bed Fusion Process 17-28
  Katsiaryna Kosarava, Bartłomiej Adam Wysocki
• Large Language Models for Creating BFO-Compliant Taxonomies from Structured Texts: A Demonstration on Tensile Testing Taxonomy 29-40
  Hossein Beygi Nasrabadi, Farzaneh Mahdavi, Jörg Waitelonis, Harald Sack
• Automatically Building and Updating a Knowledge Graph of MLIP Models 41-52
  Alexis Beer, Liudmyla Klochko, Mathieu d'Aquin
• Towards Object-Oriented Linked Data Profiles for Material Science 53-65
  Simon Stier, Lukas Gold, Matthias Albert Popp, Simon Feiler, Gerhard Goldbeck, Yoav Nahshon, Andreas Räder, Jesper Friis, Simon Clark, Patrick Lambrix
• Mined from Scientific Literature: Process Schemas for Atomic Layer Deposition and Etching in Materials Science 66-83
  Sameer Sadruddin, Eleni Poupaki, Alex Watkins, Bora Karasulu, Adriaan J.M. Mackus, Erwin Kessels, Sören Auer, Jennifer D'Souza
• The State of Uncertainty Representation in Copolymer Chemistry Knowledge Artifacts 84-97
  Sarah T. Tüzün, Birgitta König-Ries
• Real-world Application of MDS-Onto: Ontology-driven Knowledge Graphs to Accelerate Discovery in Materials Science 98-109
  Erika I. Barcelos, Ozan Dernek, Ethan D. Frakes, Rishabh Kundu, Van D. Tran, Holly L. Schreiber, Redad Mehdi, Shawn Liang, Quynh D. Tran, Yinghui Wu, Mengjie Li, Laura S. Bruckman, Roger H. French
• Semantic Materials Science for Large Scale Molecular Representation Learning 110-123
  Quynh D. Tran, Meredith A. Francis, Isabella M. Giammattei, Holly L. Schreiber, Katherine Q. Karkosiak, Erika I. Barcelos, Ozan Dernek, Laura S. Bruckman, Yinghui Wu, Roger H. French
• The PolyLab Ontology - A Semantic Model of Laboratory Processes and Their Plans 124-137
  Marta Dembska, Martin Held, Sirko Schindler

Short Papers:

• Iterative AI-Assisted Ontology Engineering: Lessons Learned from Developing the CASTON ontology for Metal Casting, Materials and Manufacturing 138-143
  He Tan, Ziyu Li, Xuan Liu, Anders E.W. Jarfors
• The Federated Data Space Infrastructure of Materials Commons: Concept and Architecture 144-153
  Simon Stier, Marek Cebecauer, Jakub Klímek, Jörg Schaarschmidt, Andreas Räder, Natalia Bedoya-Martinez, Rickard Armiento, Lukas Gold