Next-Generation Hydrogel Design: Computational Advances in Synthesis, Characterization, and Biomedical Applications
Muhammad Mazhar Fareed, Sergey Shityakov
Abstract
Hydrogels are pivotal in advanced materials, driving innovations in medical fields, such as targeted drug delivery, regenerative medicine, and skin repair. This systematic review explores the transformative impact of in-silico design on hydrogel development, leveraging computational tools such as molecular dynamics, finite element modeling, and artificial intelligence to optimize synthesis, characterization, and performance. We analyze cutting-edge strategies for tailoring the physicochemical properties of hydrogels, including their mechanical strength, biocompatibility, and stimulus responsiveness, to meet the needs of next-generation biomedical applications. By integrating machine learning and computational modeling with experimental validation, this review highlights how in silico approaches accelerate material innovation, addressing challenges and outlining future directions for scalable, personalized hydrogel solutions in regenerative medicine and beyond.