Understanding the Fundament of Virus Inactivation via Modeling

Research output: ThesisDissertation (TU Delft)

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Historically, viruses have always been the causative agent of most human diseases. As one of the most devastating pandemics in human history, the COVID-19 pandemic, associated with SARS-CoV-2, is responsible for tens of millions of casualties in the world since the end of 2019. Meanwhile, it also has destabilized global economics. Therefore, in the absence of vaccines and particular drugs, exploring effective disinfection methods for lethal viruses is critical to prevent the spread of pandemics. At present, many scientific studies have demonstrated a variety of inactivation methods for bacteria and viruses, including conventional and advanced ones. Those methods show high antiviral activity for viruses such as human CoVs. However, most research focuses on the effectiveness and efficiency of viral inactivation. Besides benefiting from the development of semiconductor technology, it is possible for viral inactivation by utilizing multi UVC-LEDs (UVC irradiation) or microelectrodes (electric field). Most importantly, the molecular-level mechanisms of virus inactivation are still unclear and debated. Therefore, it is meaningful to uncover the molecular-level mechanism of virus disinfection methods and explore more effective antiviral schemes for preventing viral diseases.
Original languageEnglish
Awarding Institution
  • Delft University of Technology
  • Zhang, G.Q., Supervisor
Award date24 Apr 2023
Print ISBNs978-94-6473-098-2
Publication statusPublished - 2023


  • Molecular-level inactivation mechanism
  • Density functional theory
  • Molecular dynamics
  • Quantum chemical calculation
  • SARS-CoV-2
  • Heating inactivation
  • Chemical disinfectants
  • UVC irradiation
  • Electric field treatment


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