BEST-CSP

May 14, 2025

The BEST-CSP (Bringing Experiment and Simulation Together in Crystal Structure Prediction) project is a COST Action (CA22107) that aims to enhance the accuracy of thermodynamic equilibrium data for organic crystalline polymorphs by integrating experimental and computational approaches.

Through a collaborative network of six working groups, the initiative seeks to establish benchmark compounds, standardize methodologies, and validate computational models, thereby advancing the field of crystal structure prediction. The Group of Characterization of Materials (GCM) at the Centre for Research in Multiscale Science and Engineering (CCEM) serves as the grant holder for this project, playing a pivotal role in coordinating efforts across Europe.