James Avery ny PhD fra DIKU – Københavns Universitet

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08. marts 2011

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, jettegm@diku.dk, indtil den offentliggøres på hjemmesiden.


Formand for bedømmelseskomiteen lektor Torben Mogensen introducerer James Avery
 

 
Bedømmelseskomiteen bestående af:

Chairman: Associate Professor Torben Ægidius Mogensen, DIKU,
Associate Professor Kristian Sommer Thygesen, DTU Physics
Professor Jerry Bernholc, North Carolina State University, Center for High Performance Simulation

I baggrunden ses vejleder Stig Skelboe

 
James Avery på slap line

Abstract : 

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.

Assessment Committee:

Academic supervisor:

Professor, Dr. Techn, Stig Skelboe, eScience Center, University of Copenhagen

For an electronic copy of the thesis, please contact Jette Møller, jettegm@diku.dk