Electron collisions with molecules of biological relevance

Ionizing radiation damages living animals and plants by, among other things, causing strand breaks in DNA. Electrons with energy below 20 eV are known to cause these breaks via the formation of temporary negative ions or resonances. We use the well established R-matrix method to study the interaction of low energy electrons with polyatomic molecules. The challenge lies in understanding process like resonance formation for larger targets as well as determining cross sections that can be used on the modelling of radiation damage.

But biomedical applications are not the only area in which low energy electron interaction with biomolecules plays an important rolei: click for more details.

Electron collisions with molecular clusters

In many applied fields, electron-molecule collisions take place in environments such as bulk matter and surfaces. This environment can affect the collisional process and its outcome. We study electron scattering from small clusters of a biomolecule and several water molecules to understand how microhydration (and, more generally, hydrogen bonding) affects resonance formation. This work complements the research being carried out by the Molecular Clusters group .Click for more details.

Scientific Software development

Atto-second laser-matter interactions, radiation damage, etc. are processes in which multi-electron dynamics is crucial. Calculations that accurately describe these multi-electron interactions require the use High Performance Computing. We develop programs that are part of a suite of high-quality computer codes (UKRmol+) to take advantage of current and future high performance computing capabilities to study electron, positron and laser interaction with polyatomic molecules. We are currently funded by EPSRC through R-MADAM project . The software development is coordinate more broadly by the UK-AMOR High-end Computing Consortium and CCPQ.

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