ProfessorNiall English

For more research-specific information, see research-group web-site: http://rogaine.ucd.ie/group/mews.htm

Main Interests
1. Clathrate hydrates (both equilibrium properties and kinetics)
2. Properties of water (bulk, and at nanoscale/biological/polymer surfaces and in heterogeneous environments)
3. Properties of ice (crystalline and amorphous)
4. Materials for photo-driven water-splitting, e.g. , (doped) iron oxide or titania and their interfaces with water
5. Fixation of carbon dioxide, especially by biomimetic approaches (including Rubisco's mysteries)
6. Applications of TD-DFT or NAMD methods (especially towards dyes or quantum dots for solar cells)
7. Materials for applications in photovoltaics
8. Thermal conduction and other thermal properties, especially in water-containing structures
9. Physical and chemical hydrogen storage, including reaction pathways and reversibility considerations
10. Biomolecular simulation (MD), especially of solvated and transmembrane proteins, or involving (gas) transport
11. Non-equilibrium MD (particularly in continuous or pulsed electric and electromagnetic fields)
12. Carbon nanotubes and nanomaterial-biological interactions
13. Water transport across membranes
14. High-Performance Computing, and microscale and accelerated MD and ab initio simulation on various novel architectures
15. Crystal-structure prediction; for commercial aspects, see BioSimulytics, at: www.biosimulytics.com
16. Nano-bubbles; for commercial aspects, see AquaB, at: www.aquab.com