Review of chemical models and applications in Geant4-DNA: Report from the ESA BioRad III Project
journal contribution
posted on 2024-11-17, 14:52 authored by Hoang Ngoc Tran, Jay Archer, Gérard Baldacchino, Jeremy MC Brown, Flore Chappuis, Giuseppe Antonio Pablo Cirrone, Laurent Desorgher, Naoki Dominguez, Serena Fattori, Susanna Guatelli, Vladimir Ivantchenko, José Ramos Méndez, Petteri Nieminen, Yann Perrot, Dousatsu Sakata, Giovanni Santin, Wook Geun Shin, Carmen Villagrasa, Sara Zein, Sebastien IncertiA chemistry module has been implemented in Geant4-DNA since Geant4 version 10.1 to simulate the radiolysis of water after irradiation. It has been used in a number of applications, including the calculation of G-values and early DNA damage, allowing the comparison with experimental data. Since the first version, numerous modifications have been made to the module to improve the computational efficiency and extend the simulation to homogeneous kinetics in bulk solution. With these new developments, new applications have been proposed and released as Geant4 examples, showing how to use chemical processes and models. This work reviews the models implemented and application developments for modeling water radiolysis in Geant4-DNA as reported in the ESA BioRad III Project.