Ground-State Eigenvalue Prediction of Materials Using Electronic Shell Structures and Fermionic Properties via Convolutions
Enhancing Photocatalytic Efficiency of TiO2 Nanoparticles through Carbon Doping--An Integrated DFTB and Computer Vision Approach
Text-To-Energy--Accelerating Quantum Chemistry Calculations through Enhanced Text-to-Vector Encoding and Orbital-Aware Multilayer Perceptron
An Efficient and Novel Approach for Predicting Kohn-Sham Total Energy--Bootstrapping a Cooperative Model Framework with Minimal Viable Theoretical Data