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ABACUS 1 Academic 1 AI For Science 1 Chemistry 2 Co-Corresponding Author 1 Co-First Author 3 DFT software 2 DNA Molecular Device 1 Heterostructures 2 Hugo 2 Hugo Blox Builder 1 JavaScript 1 Kagome 1 Machine Learning 1 Markdown 5 Molecular dynamics 1 NEB Calculation 2 Pre- & Post-processing 1 Python 1 Python & C++ 1 RRAM Device 1 Second Brain 1 Topological 2 Wowchemy 3