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Thomas W. Keal

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Open access Jul 2026

Interfacial Nucleation Pathways Governing Polymorph Selection Revealed by Synchrotron-Based In Situ GIWAXS and Molecular Simulations

Gas–liquid interfacial nucleation can influence organic crystallization, yet its mechanistic role in polymorph selection remains poorly understood. Here, we demonstrate that nucleation at the gas–liquid interface of flufenamic acid solutions governs polymorph selection and gives rise to a pronounced concentration-depen...

Yu Liu, Xu Zhang, Xingfan Zhang et al. · 0 citations
Preprint Aug 2026

Scientific applications of quantum computing: challenges and opportunities

It is argued that near-term value is most likely to come from disciplined workflow integration rather than wholesale replacement of classical methods, and quantum computing will become scientifically valuable when it demonstrably reduces uncertainty in computed energies, rates, spectra, or materials stability after the...

Bruno Camino, C. R. Catlow, J. Buckeridge et al. · 0 citations

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