At the intersection of chemistry and computation, researchers from the University of Glasgow have developed a hybrid digital-chemical probabilistic computational system based on the ...

For the first time, chemists in the University of Minnesota Twin Cities College of Science and Engineering have created a highly reactive chemical compound that has eluded scientists for more than 120 ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

This paper introduces SRCA-CEC, a hybrid two-phase framework based on the Structured Random Cycle-guided Algorithm (SRCA), designed to tackle complex real-world constrained optimization problems.

Despite three decades of progress in green chemistry, we now face a sobering reality: incremental advances and proposal fatigue dominate the research landscape, while societal trust in science shows ...

Tech giant Microsoft and leading quantum computer developer Quantinuum have hit two more significant markers on the path towards scientific quantum advantage. They have successfully created 12 highly ...

This article predates the current owners of Science Blog. It has not been reviewed under the current editorial process and is kept as part of the archive. The Transferring Exascale Computational ...

Chemical Reaction Optimization (CRO) is a nature-inspired metaheuristic that mimics the interaction and transformation of molecules in chemical processes to address combinatorial optimisation ...