MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections
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Engineering topics
Burrill, Daniel J.
Publications and source records attributed to Burrill, Daniel J..
Linear graphlet models for accurate and interpretable cheminformatics
The surprising effectiveness of topology in the chemical sciences: graphlets in our open-source library, , provide accurate white-box 2D chemical property prediction.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗