Dataset for "Voltage-Controlled Organic Solvent Nanofiltration Using Conjugated Microporous Polymer Membranes."

This dataset accompanies the paper “Voltage-Controlled Organic Solvent Nanofiltration Using Conjugated Microporous Polymer Membranes,” published in Nature Communications.It includes: All source data for the figures presented in the main manuscript and Supplementary Information (SI). Atomic coordinates of DFT-optimized structures reported in the manuscript and SI. Input and script files for molecular dynamics (MD) simulations conducted using the LAMMPS software. Initial and final configurations extracted from the MD equilibration process for both the methanol-MB-PTCB and acetone-MB-PTCB systems.