1 citations · 2 across the 4 of their papers we have counts for
4 papers
Interpretable Machine Learning for Quantum-Informed Property Predictions in Artificial Sensing Materials
Li Chen, Leonardo Medrano Sandonas, Shirong Huang +2
Digital sensing faces challenges in developing sustainable methods to extend the applicability of customized e-noses to complex body odor volatilome (BOV). To address this challeng…
Charge Carrier Mobilities in gamma-Graphynes: A computational approach
Elif Unsal, Alessandro Pecchia, Alexander Croy +1
Graphynes, a class of two-dimensional carbon allotropes, exhibit exceptional electronic properties, similar to graphene, but with intrinsic band gaps, making them promising for sem…
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…
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…