New Product Release : Advance/OF-DFT
Deep Learned Orbital Free-DFT Kohn-Sham DFT (KS-DFT) has long been the standard method in density functional theory (DFT). However, KS-DFT is computationally expensive and challenging for simulating large systems due to its reliance on orbital (wave function) representation. Orbital Free-DFT (OF-DFT), which directly optimizes electron density without using orbitals, offers extremely fast simulations at a …