Chiral materials have recently emerged as a promising class for next generation spintronic and multiferroic applications owing to their ability to generate spin-polarized currents without external magnetic fields a phenomenon known as the Chiral-Induced Spin Selectivity (CISS) effect. Despite intense experimental progress, the microscopic origin of spin polarization in extended chiral solids and its coupling with ferroelectric and magnetic degrees of freedom remain poorly understood. This project aims to establish a first-principles computational framework to elucidate how structural chirality, spin orbit coupling, and lattice dynamics together govern polarization and magnetization in chiral perovskite systems. We will focus on a family of chiral hybrid and oxide double perovskites that exhibit noncentrosymmetric distortions and potential multiferroic behavior. Using density functional theory (DFT) with spin orbit coupling and noncollinear magnetism, we will calculate their electronic structure, spin texture, and polarization to quantify spin lattice coupling effects. The Nudged Elastic Band (NEB) method will be employed to identify minimum energy pathways for chirality and polarization switching, providing microscopic insights into the coupling between chiral distortions and spin polarization mechanisms. To incorporate finite temperature and dynamical effects, ab initio molecular dynamics (AIMD) simulations will be carried out to capture dynamic disorder and phonon assisted fluctuations that are particularly significant in halide and hybrid perovskites. The resulting trajectories will help quantify the influence of thermal motion on ferroelectric polarization and spin filtering efficiency. In parallel, phonon calculations will reveal the soft vibrational modes responsible for the chiral polar coupling and the emergence of multiferroicity. By systematically exploring the effects of strain, temperature, and chemical composition, this project will develop design principles for enhancing spin-polarized ferroelectricity in chiral perovskites. The integration of DFT, NEB, AIMD, and phonon analysis will provide a comprehensive understanding of structure–property correlations in these materials. The proposed simulations will reveal how geometric chirality influences spin textures and polarization switching barriers, thus bridging the gap between static electronic structure calculations and dynamic spin lattice phenomena. The expected outcomes include (i) identification of stable chiral multiferroic phases, (ii) quantitative mapping of spin polarization as a function of chirality strength, and (iii) predictive guidelines for optimizing CISS-driven multiferroic behavior through chemical and structural engineering. The results will deepen our understanding of spin orbit driven functionalities in chiral perovskites and guide the rational design of multifunctional materials for quantum, spintronic, and memory applications.