Author
Roshan J Singh
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Recent research
- Materials & EnergyOpen access
π-Stack-Web: A Curated Database and Similarity-Guided Platform for Supramolecular Stack Generation
Abstract The generation of stable one-dimensional (1D) supramolecular assemblies is computationally demanding because identifying low-energy stacking configurations requires exploration of complex configurational spaces and highly multimodal energy landscapes. Moreover, even when...