Video From 24w5171: Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials
Dongbo Zhao, Yunnan University
Wednesday, September 11, 2024 10:45 - 11:15
Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates
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