Machine learning interatomic potentials (MLIP) are a topic of very active research, promising to bring the high accuracy of electronic structure methods to large space and long time scales previously ...
Computational chemists at the University of Amsterdam's Van 't Hoff Institute for Molecular Sciences have developed a comprehensive software suite to create accurate models of DNA in biomolecular ...
Graphene stands as the ultimate atomically thin two-dimensional material, consisting of a single atomic layer of carbon atoms arranged in a hexagonal honeycomb lattice 1. As the archetypal 2D material ...
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