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Quantum simulations of radiation damage in a molecular polyethylene analog
An atomic-level understanding of radiation-induced damage in simple polymers like polyethylene is essential for determining how these chemical changes can alter the physical and... -
Expression and gene network datasets for benchmarking phenotype prediction
Companion simulated dataset for the preprint "Should we really use graph neural networks for transcriptomic prediction?" together with data obtained from the datasets:... -
Graph theory-based structural analysis on density anomaly of silica glass
Understanding the structure of glassy materials represents a tremendous challenge for both experiments and computations. Despite decades of scientific research, for instance,...
