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946 积分 2025-11-11 加入
Magnetic and Electronic Properties of Gd-Doped GanNn (n=6-12) Clusters: First-Principles Study
34分钟前
已关闭
A cage-structured GaN allotrope with unconventional bonding breaks the ductility barrier of wide band gap semiconductors
44分钟前
已完结
A deep learning model for predicting selected organic molecular spectra
3天前
已完结
Extending machine learning beyond interatomic potentials for predicting molecular properties
3天前
已完结
Geometric deep learning on molecular representations
3天前
已完结
General Framework for Geometric Deep Learning on Tensorial Properties of Molecules and Crystals
3天前
已完结
Machine Learning with Multilevel Descriptors for Screening of Inorganic Nonlinear Optical Crystals
12天前
已完结
First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates
17天前
已完结
General Framework for Geometric Deep Learning on Tensorial Properties of Molecules and Crystals
17天前
已完结
Predict the Polarizability and Order of Magnitude of Second Hyperpolarizability of Molecules by Machine Learning
17天前
已完结
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