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May 28, 2025 | Seminarios

Modeling and simulating heterogeneously charged particles: from materials design to biological phenomena

Seminar given by Emanuela Bianchi (Institut fur Theoretische Physik Technische Universitat Wien, Austria)

Globular proteins and recently synthesized colloids engineered with differently charged surface regions exhibit complex, direction-dependent interactions, characterized by a reduced bonding valence and a competition between like-charge repulsion and opposite-charge attraction. Understanding their large-scale behavior is crucial for both biological processes—such as protein liquid-liquid phase separation—and for designing functional nano- and micro-scale materials. We developed a mean-field theoretical framework based on the linearized Poisson-Boltzmann equation to describe these effective interactions [1], and introduced a coarse-grained model that captures its key features [2], suitable for Monte Carlo and molecular dynamics simulations [3]. I will present how variations in net charge and surface patterning influence self-assembly, focusing on the formation of ordered structures [4] and conditions for liquid-liquid phase separation [5]. [1] A. Gnidovec, E. Locatelli, S. Copar, A.Bozic and E.Bianchi, Nat. Comm. in press (2025) [2] D.Notarmuzi, E.Locatelli and E.Bianchi, in preparation [3] D.Notarmuzi, S.Ferrari, E.Locatelli and E.Bianchi, J.Chem. Phys., 162, 144902 (2025) [4] S. Ferrari, E. Bianchi and G. Kahl, Nanoscale, 9, 1956 (2017) [5] D.Notarmuzi and E.Bianchi, Comm. Phys., 7, 412 (2024

Abstract

Ponente del seminario: Emanuela Bianchi
Fecha del seminario: 02/06/2025 12:00
Lugar del seminario: Salón de actos del IQF