Microscopic insight into the shaping of MOFs and its impact on CO2 capture performanceElectronic supplementary information (ESI) available: Microscopic model and force-field parameters of the binders. DFT-optimized crystal structure of CALF-20. Surface energies of the different CALF-20 slabs. Force-field parameters used for CALF-20. Details of the MD simulated systems, and MD and GCMC simulation protocols. Density, porosity, and mechanical properties of the binders. Snapshots of the CALF-20 and their derived composites with binders. Additional radial distribution functions between MOF/binder atom pairs and dihedral angle distribution of the binders. See DOI: https://doi.org/10.1039/d3sc04218a