Author

M. García-Garibay

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Open access Sep 2026

Room Temperature Structures of Solvated Organic Molecules Enabled by Liquid Cell Electron Diffraction

Electron diffraction (MicroED/3DED) enables atomic structure determination from nano- or microcrystals, including dry crystalline powders or mixtures. However, radiation damage and instrument vacuum can limit the interrogation of molecular crystals in solution at room temperature. We now present a strategy for room-t...

N. Vlahakis, Krzysztof A. Konieczny, Cameron W. Flowers et al. · ACS Central Science · 1 citation

Open access Sep 2026

Quantum-Chemically Informed Representation Learning for Molecular Crystal Property Prediction via Multimodal Graph Neural Networks

Analysis of the learned representations reveals that QTAIM descriptors contribute interpretable signals associated with intermolecular interactions and density redistribution within the crystal, highlighting the value of quantum-informed learning for advancing data-driven solid-state modeling.

Ferdawss Ihiri, M. Garcia-Garibay, Anastassia N. Alexandrova · Journal of Chemical Informat... · 0 citations