Self-assembly is the process by which an organized structure spontaneously forms from individual components, as a result of specific, local interactions among the components. When the constitutive ...

Supramolecular chemistry is the study of entities of greater complexity than individual molecules — assemblies of molecules that bond and organize through intermolecular interactions. The design ...

VASPsol++ is a framework for implementing complex continuum fluid models within density functional theory calculations performed using the Vienna Ab initio Simulation Package (VASP). It is being ...

Theory and Simulation of Materials (THEOS), Ecole Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland ...

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