Marc Domingo will defend his PhD Thesis on 29 July 2025 at ICMAB
The PhD researcher Marc Domingo Cabasés from the Soft Matter Theory group at ICMAB-CSIC, will defend his PhD thesis on Tuesday, 29 July 2025 at ICMAB.
Computer simulations of the interaction between enveloped viruses and materials
PhD Candidate: Marc Domingo Cabasés
Date: Tuesday, 29 July 2025 Time: 11.00 AM Venue: Institut de Ciència de Materials de Barcelona (ICMAB, CSIC) - Sala d'Actes Carles Miravitlles
Abstract
The COVID-19 pandemic, caused by the SARS-CoV-2 virus, brought much pain and suffering to human society. Millions of people died from the disease and the majority of the world’s population experienced periods of confinement. This thesis investigates how the SARS-CoV-2 virus interacts with surfaces and disinfectants, with a focus on understanding its transmission. The possibility that surfaces play a role in spreading the disease led scientists to study how viruses interact with different materials. Experimental studies have primarily investigated how long viruses can survive on different surfaces and how effectively various disinfectants can neutralize or inactivate the virus. However, the microscopic mechanisms behind the interaction between the coronavirus, materials, and disinfectants are still not well understood. To help address this gap, I carried out computer simulations of various systems to explore these interactions in detail. To carry out this thesis, I have used several computational techniques: molecular dynamics, electrostatic calculations at the level of Poisson-Boltzmann and molecular docking.
Supervisors
Jordi Faraudo, ICMAB-CSIC, Spain
PhD Committee
President: Eva González, Instituto de Química Física Blas Cabrera (CSIC), Spain
Secretary: David Reguera, UB, Spain
Vocal: Chris Lorenz, King’s College London, United Kingdom
University: Universitat Autònoma de Barcelona (UAB)
