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

• Κύριος συγγραφέας: Τσούρτου, Φλώρα
• Άλλοι συγγραφείς: Μαυραντζάς, Βλάσιος
• Μορφή: Thesis
• Γλώσσα: English
• Έκδοση: 2020
• Θέματα: 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...