The combined theory-hands-on Graduate School on electronic structure methods will take place in Oxford from Sunday 10th July until Saturday 16th July 2011. Morning sessions will be dedicated to lectures introducing the theory and application of electronic structure methods. Afternoon sessions will provide hand-on experience with the relevant codes on a high-performance compute cluster.
The methods covered, demonstration codes and lecturers will be:
- Density Functional Theory and Density Functional Perturbation Theory: Quantum Espresso
- Linear scaling methods: ONETEP
- Quantum Monte Carlo CASINO:
- LMTO:
- Prof Walter Temmerman (Daresbury Laboratory)
- Prof Dzidka Szotek (Daresbury Laboratory)
- Dr Martin Lueders (Daresbury Laboratory)
- Dr Leon Petit (Daresbury Laboratory)
To apply please follow the instructions at http://mml.materials.ox.ac.uk/Support/GraduateSchool2011
The combined theory-hands-on Graduate School on electronic structure methods will take place in Oxford from Monday Jul 4 until Friday July 8, 2011. There will be 15 morning lectures over 5 days, with 7 lectures on general theory and 8 lectures on the electronic-structure methods that will be presented in the afternoons. The rest is all hands-on experience with the relevant codes. Three theory lectures will give an introduction to Density Functional Theory (DFT) by Prof Stefano Baroni (Trieste).
The 8 lectures on electronic-structure algorithms will give a bird's eye view of 4 methods:
density functional theory and density functional perturbation theory
Quantum Expresso (+Wannier90): Nicola Marzari
linear scaling and localized orbitals
ONETEP: Mike Payne
quantum Monte Carlo
CASINO: Richard Needs
LMTO and TB: Walter Temmerman
Each method is introduced by two lectures followed by hands on experience with a modern state of the art code. This allows the students to become aware and comfortable with a range of different methods with the final lecture dedicated as a guide how to choose the appropriate code for a particular problem. The four remaining theory lectures will cover the tight binding and the recursion methods (2 lectures by J. Annett), ONETEP (A. Mostofi) and QMC (M. Towler)
The Oxford University Graduate School is aimed towards giving beginning PhD students:
(1) an understanding of the theories underlying electronic structure calculations
(2) hands-on experience in electronic structure calculation codes
(3) a perspective how these methods are used in state of the art research.
The combined theory-hands-on Graduate School on electronic structure methods will take place in Oxford from Monday Jul 4 until Friday July 8, 2011. There will be 15 morning lectures over 5 days, with 7 lectures on general theory and 8 lectures on the electronic-structure methods that will be presented in the afternoons. The rest is all hands-on experience with the relevant codes. Three theory lectures will give an introduction to Density Functional Theory (DFT) by Prof Stefano Baroni (Trieste).
The 8 lectures on electronic-structure algorithms will give a bird's eye view of 4 methods:
density functional theory and density functional perturbation theory
Quantum Expresso (+Wannier90): Nicola Marzari
linear scaling and localized orbitals
ONETEP: Mike Payne
quantum Monte Carlo
CASINO: Richard Needs
LMTO and TB: Walter Temmerman
Each method is introduced by two lectures followed by hands on experience with a modern state of the art code. This allows the students to become aware and comfortable with a range of different methods with the final lecture dedicated as a guide how to choose the appropriate code for a particular problem. The four remaining theory lectures will cover the tight binding and the recursion methods (2 lectures by J. Annett), ONETEP (A. Mostofi) and QMC (M. Towler)
The Oxford University Graduate School is aimed towards giving beginning PhD students:
(1) an understanding of the theories underlying electronic structure calculations
(2) hands-on experience in electronic structure calculation codes
(3) a perspective how these methods are used in state of the art research.
The combined theory-hands-on Graduate School on electronic structure methods will take place in Oxford from Monday Jul 4 until Friday July 8, 2011. There will be 15 morning lectures over 5 days, with 7 lectures on general theory and 8 lectures on the electronic-structure methods that will be presented in the afternoons. The rest is all hands-on experience with the relevant codes. Three theory lectures will give an introduction to Density Functional Theory (DFT) by Prof Stefano Baroni (Trieste).
The 8 lectures on electronic-structure algorithms will give a bird's eye view of 4 methods:
density functional theory and density functional perturbation theory
Quantum Expresso (+Wannier90): Nicola Marzari
linear scaling and localized orbitals
ONETEP: Mike Payne
quantum Monte Carlo
CASINO: Richard Needs
LMTO and TB: Walter Temmerman
Each method is introduced by two lectures followed by hands on experience with a modern state of the art code. This allows the students to become aware and comfortable with a range of different methods with the final lecture dedicated as a guide how to choose the appropriate code for a particular problem. The four remaining theory lectures will cover the tight binding and the recursion methods (2 lectures by J. Annett), ONETEP (A. Mostofi) and QMC (M. Towler)
The Oxford University Graduate School is aimed towards giving beginning PhD students:
(1) an understanding of the theories underlying electronic structure calculations
(2) hands-on experience in electronic structure calculation codes
(3) a perspective how these methods are used in state of the art research.
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