Welcome to the Atomistic Simulation Centre - ASC
Atomistic simulation is the theoretical and computational modelling of what happens at the atomic scale in solids, liquids, molecules and plasmas. Often this means solving numerically the classical or quantum-mechanical microscopic equations for the motion of interacting atoms, or even deeper - electrons and nuclei. Atomistic simulation is used:
- to interpret existing experimental data and predict new phenomena.
- to reach computationally where pen-and-paper theory alone cannot.
- to provide a way forward where experiments are not yet possible, e.g. under extreme conditions, or at atomistic size- and time-scales where one cannot yet look directly.
- Electronic transport in nanostructures
- Irradiation of materials and biological systems
- Ultra-fast laser-matter interactions
|CHEMISTRY||Room-temperature Ionic liquids, Crystallization, Heat storage, Electrochemistry, Catalysis, Photocatalysis, Mechanochemistry, Superhydrophobicity, Bubble technologies.|
|BIOLOGY||Pharmaceutical drugs, Biomolecular dynamics, Radiotherapies.|
|NANOSCIENCE||Nanoelectronic, nanophotonic and nanoplasmonic devices.|
|PHYSICS||Materials for the nuclear industry, Photovoltaics, Ferroelectrics.|
28 May, 2015
Daniel Dundas and Abigail Wardlow have been awarded 42,000 kAUs on the ARCHER service from the ARCHER Resource Allocation Panel. This resource will be used over the next year in a project entitled “Probing molecular chirality using high harmonic generation”. Well Done!!!
13 May, 2015
2 May, 2015
After 6 months visiting the ASC, Prof Jose Sierra Ortega and Elizabeth Escorcia Salas from Universidad del Magdalena - Santa Marta- Colombia are going back home. During their stay Jose and Elizabeth established fruitful collaborations with several members of the ASC, working in particular with Dr Lorenzo Stella and Dr Myrta Gruning. We wish them a safe trip home and hope to see them back soon. Buen viaje y buena suerte, Jose, Elizabeth y familia!
30 April, 2015
Prof. Neepa Maitra (Hunter, CUNY) visits the ASC and gives a stimulating seminar on electron-nuclear dynamics and TDDFT. Over her time here she found time to speak to everyone in the group.
28 March, 2015
Michael Ferguson (PhD Student) sets off to Universidad Nacional de Cuyo, Mendoza, Argentina to begin his first secondment as part of the ENACT Project. Have a safe adventure in Argentina.