Hybrid Quantum-Classical Algorithms: Transforming Molecular Simulations for Drug Discovery and Materials Science Predicting complex chemical reactions has long challenged scientists, especially when speed and accuracy are critical. Recent advances are reshaping this landscape. Researchers have unveiled a hybrid ... drug discovery error mitigation GPU acceleration hybrid algorithms molecular simulation quantum chemistry quantum computing transition metal complexes
Open Molecules 2025: Transforming Chemistry with AI-Ready Data The scientific world is abuzz with the debut of Open Molecules 2025 (OMol25), a dataset poised to redefine what's possible in computational chemistry and artificial intelligence. Developed through a c... AI models computational chemistry datasets DFT drug discovery machine learning materials science molecular simulation