144 citations · 281 across the 8 of their papers we have counts for
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Open Molecular Crystals 2025 (OMC25) Dataset and Models
Vahe Gharakhanyan, Luis Barroso-Luque, Yi Yang +16
The development of accurate and efficient machine learning models for predicting the structure and properties of molecular crystals has been hindered by the scarcity of publicly av…
FastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms
Vahe Gharakhanyan, Yi Yang, Luis Barroso-Luque +24
Molecular crystal structure prediction (CSP) is essential for applications in pharmaceuticals and organic electronics. However, CSP remains challenging and computationally intensiv…
Genetic Algorithm-Accelerated Computational Discovery of Liquid Crystal Polymers with Enhanced Optical Properties
Jianing Zhou, Yuge Huang, Arman Boromand +7
Liquid crystal polymers with exceptional optical properties are highly promising for next-generation virtual, augmented, and mixed reality (VR/AR/MR) technologies, serving as high-…