DOI: 10.1039/d6ta06877d ISSN: 2050-7488

Natural language guided discovery of two-dimensional photovoltaic heterojunctions via structure-aware crystal text learning

Congsheng Xu, Gencai Guo, Gang Guo

CLaMP aligns crystal graphs with scientific text to support natural-language retrieval from structural databases. In a 2D photovoltaic case study, it identifies type-II heterojunctions for first-principles validation.

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