James Avery ny PhD fra DIKU
Med afhandlingen New Computational Methods in the Quantum Theory of Nanostructures forsvarede James Avery tirsdag den 8. marts 2011 sin PhD på DIKU.
DIKU ønsker James tillykke med PhD-graden. Se billeder og abstract nedenfor. Afhandlingen kan bestilles hos Jette Møller, email@example.com, indtil den offentliggøres på hjemmesiden.
Formand for bedømmelseskomiteen lektor Torben Mogensen introducerer James Avery
James Avery på slap line
The wave equations for matter in principle allow us to calculate from first principles almost any property that is covered by our current understanding of physics, chemistry, or indeed biology, by using only a few fundamental laws of nature. However, Solving the Schrödinger or Dirac wave equations, even by approximation, remains a formidable task:
For N-electronic systems, they are partial differential equations of 3N spatial variables and N spin variables, and interelectron interaction prevents separation of variables. Modeling even a single atom is a many-dimensional problem, and the computational complexity grows explosively with the number of particles. Nanosystems in turn consist of hundreds to thousands of atoms. This regime is particularly difficult to treat: The systems are small enough that detailed quantum effects are important, but much too large for most conventional quantum theoretical methods to be feasible. A great deal of care must therefore be applied when constructing computational methods for simulating such systems.
The thesis details the development of three new computational methods for efficient electronic structure calculations on nano-sized systems.
Professor, Dr. Techn, Stig Skelboe, eScience Center, University of Copenhagen
For an electronic copy of the thesis, please contact Jette Møller, firstname.lastname@example.org