Computational plasma-(bio)materials
We are an interdisciplinary group, with diverse backgrounds comprising plasma physics, condensed/soft matter physics, and mathematics. Our research is focused on understanding the complex interplay of non-thermal atmospheric pressure plasmas and biomaterials (biomolecules) for their applications in medicine, and agriculture. To do this, we develop and employ a multiscale computational approach combining quantum chemistry, classical Molecular Dynamics, and fluid-type models.
Research Profile
Non-thermal atmospheric pressure plasmas generated in gases such as air, O2, N2, He and Ar (flowing into ambient air) consist of chemically active ingredients (reactive oxygen- and nitrogen-based radicals), UV radiation and high electric fields which disturbs metabolism of microorganisms. These plasmas have emerged as a therapeutic modality against bacteria and a wide variety of cancer types. Our goal is to unravel the mechanism of cell death by plasma. To reach our goal, we collaborate extensively with (inter)national experimental colleagues.
Multiscale computational approach
We cover the full range of plasma-biomaterials interaction from generation of plasma species in the gas phase, their transport and diffusion into liquid around the cells, to their interactions with cell membranes and membrane proteins. We start from quantum chemistry techniques (Coupled Cluster, Møller-Plesset, Density Functional Theory) and we develop force fields to be used in large scale classical Molecular Dynamics simulations. In addition, we model plasma on a mesoscopic scale using a so-called drift-diffusion-reaction fluid type model.
Meet some of our Researchers
Recent Publications
Our most recent peer reviewed publications
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Tijin Saji,J.M. Vicent-Luna,Thijs J.H. Vlugt,Sofia Calero,Behnaz Bagheri
Computing solubility and thermodynamic properties of H2O2 in water
Journal of Molecular Liquids (2024) -
Behnaz Bagheri,Phansiri Boonnoy,Jirasak Wong-ekkabut,M.E.J. Karttunen
Effect of oxidation on POPC lipid bilayers
Physical Chemistry Chemical Physics (2023) -
Hani Francisco,Behnaz Bagheri,Ute M. Ebert
Simulations of positive streamers in air in different electric fields: steady motion of solitary streamer heads and the stability field
Plasma Sources Science and Technology (2021) -
Hani Francisco,Behnaz Bagheri,Ute Ebert
Electrically isolated propagating streamer heads formed by strong electron attachment
Plasma Sources Science and Technology (2021) -
Behnaz Bagheri,Ute M. Ebert
Simulation of positive streamers in CO2 and in air: the role of photoionization or other electron sources
Plasma Sources Science and Technology (2020)
Contact
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Visiting address
FluxGroene Loper 195612 AP EindhovenNetherlands -
Visiting address
FluxGroene Loper 195612 AP EindhovenNetherlands -
Postal address
FluxP.O. Box 5135600 MB EindhovenNetherlands -
Postal address
FluxP.O. Box 5135600 MB EindhovenNetherlands