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    Revolutionizing Quantum Chemistry: Deep Learning & Skala's Breakthrough in DFT

    Density Functional Theory (DFT) has long held a central role in the computational study of molecules and materials, acting as a bridge between quantum mechanics and real-world chemical behavior. Despite its status as a workhorse of computational chemistry, DFT’s true potential has been...
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    • ai in chemistry ai-driven functional development artificial intelligence chemical accuracy chemoinformatics computational chemistry advances computational materials science deep learning density functional theory dft electronic structure exchange-correlation functional high-throughput screening machine learning in chemistry materials discovery molecular modeling neural networks quantum chemistry quantum mechanics skala functional
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