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Found 2 papers, 1 papers with code
Constructing Custom Thermodynamics Using Deep Learning
Specifically, we learn three interpretable thermodynamic coordinates and build a dynamical landscape of polymer stretching, including the identification of stable and transition states and the control of the stretching rate.
D4FT: A Deep Learning Approach to Kohn-Sham Density Functional Theory
Kohn-Sham Density Functional Theory (KS-DFT) has been traditionally solved by the Self-Consistent Field (SCF) method.
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