Quantum biological insights into CRISPR-Cas9 sgRNA efficiency from explainable-AI driven feature engineering Journal September, 2023
Toward Quantum Chemical Free Energy Simulations of Platinum Nanoparticles on Titania Support Journal August, 2023
Computational approaches to delivery of anticancer drugs with multidimensional nanomaterials Journal August, 2023
Stability of the interorbital-hopping mechanism for ferromagnetism in multi-orbital Hubbard models Journal August, 2023
Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules Journal August, 2023
Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals ** Journal July, 2023
Focused Interest Groups Propel Innovation in the Emerging Data-Driven Hardware Ecosystem Journal July, 2023
Unsupervised machine learning discovery of structural units and transformation pathways from imaging data Journal June, 2023
