Atomistic simulation of self-organization in semiconducting polymers and polypeptides with molecular dynamics and Monte Carlo methodologies

• Main Author: Τσούρτου, Φλώρα
• Other Authors: Μαυραντζάς, Βλάσιος
• Format: Thesis
• Language: English
• Published: 2020
• Subjects: Molecular simulations; Molecular dynamics; Polypeptides; Semiconducting polymers; Thiophenes; Alanine; Μοριακή δυναμική; Ημιαγώγιμα πολυμερή; Πολυπεπτίδια; Θειοφαίνια; Αλανίνη; 620.11

In soft nanostructured materials based on chain molecules (typical examples include organic semiconducting polymers and polypeptides), chain self-organization at the nanoscale and mesoscale completely controls their macroscopic behavior and functionality. Although the equilibrium structure of many o...