AI-ready design of realistic 2D materials and interfaces with Mat3ra-2D

ArXi:2603.27886v1 Announce Type: cross Artificial intelligence (AI) and machine learning (ML) models in materials science are predominantly trained on ideal bulk crystals, limiting their transferability to real-world applications where surfaces, interfaces, and defects dominate. We present Mat3ra-2D, an open-source framework for the rapid design of realistic two-dimensional materials and related structures, including slabs and heterogeneous interfaces, with for disorder and defect-driven complexity.