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220 积分 2025-04-21 加入
Physics-Aware Representation Learning on Electronic Charge Density for Materials Property Prediction
3个月前
已完结
Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
3个月前
已完结
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
3个月前
已完结
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
3个月前
已完结
Predicting the charge density response in metal electrodes
3个月前
已完结
Covariant Jacobi-Legendre expansion for total energy calculations within the projector augmented wave formalism
3个月前
已完结
Computational study of phase engineered transition metal dichalcogenides heterostructures
3个月前
已完结
Theoretical study of TiO2 phase stability through DFT + U and machine learning
3个月前
已完结
Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks
4个月前
已完结
Chemical Properties from Graph Neural Network-Predicted Electron Densities
4个月前
已完结
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