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physics.chem-ph2024★ 1 cited
From Local Atomic Environments to Molecular Information Entropy
Alexander Croy
The similarity of local atomic environments is an important concept in many machine-learning techniques which find applications in computational chemistry and material science. Her…
physics.chem-ph2024
Structural Reinforcement in Mechanically Interlocked Two-Dimensional Polymers by Suppressing Interlayer Sliding
Ye Yang, André Knapp, David Bodesheim +12
Preserving the superior mechanical properties of monolayer two-dimensional (2D) materials when transitioning to bilayer and layer-stacked structures poses a great challenge, primar…