The article reviews the emerging applications of stimuli-responsive polymer materials, which can adapt to their environment and regulate various properties such as wettability, adhesion, and chemical signaling. These materials are used in diverse applications, including drug delivery, diagnostics, tissue engineering, and smart optical systems. The review focuses on stimuli-responsive macromolecular nanostructures that change conformational and chemical properties in response to external stimuli like temperature, pH, or mechanical forces. The article discusses the principal architectures and mechanisms of these materials, including polymer brushes, thin films, and multilayered structures. It also explores the applications of these materials in smart coatings, self-healing coatings, biointerfaces, micro- and nanoactuation, sensors, and drug delivery. The challenges in modeling and simulating these complex systems are highlighted, emphasizing the need for coarse-grained approaches and molecular-level detail to accurately predict their behavior.The article reviews the emerging applications of stimuli-responsive polymer materials, which can adapt to their environment and regulate various properties such as wettability, adhesion, and chemical signaling. These materials are used in diverse applications, including drug delivery, diagnostics, tissue engineering, and smart optical systems. The review focuses on stimuli-responsive macromolecular nanostructures that change conformational and chemical properties in response to external stimuli like temperature, pH, or mechanical forces. The article discusses the principal architectures and mechanisms of these materials, including polymer brushes, thin films, and multilayered structures. It also explores the applications of these materials in smart coatings, self-healing coatings, biointerfaces, micro- and nanoactuation, sensors, and drug delivery. The challenges in modeling and simulating these complex systems are highlighted, emphasizing the need for coarse-grained approaches and molecular-level detail to accurately predict their behavior.