CORDIS Project
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This project aims to develop methods for accurately modeling van der Waals interactions in complex materials. By integrating various theoretical approaches, it seeks to enable long-term simulations that predict properties of large systems, enhancing our understanding of materials.
Van der Waals (vdW) interactions are ubiquitous in nature, playing a major role in defining the structure, stability, and function for a wide variety of molecules and materials.
VdW forces make the existence of molecular liquids and solids possible; they largely control protein-protein and drug-protein binding inside our bodies; they give geckos the ability to “defy gravity” attaching to walls and ceilings.
An accurate first-principles description of vdW interactions is extremely challenging, si…
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
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