Psi-k - Ab initio (from electronic structure) calculation of complex processes in materials

Psi-k Training Graduate School


J.F. Annett (Bristol), M. Lueders, Z. Szotek and W.M. Temmerman (Daresbury)

Burwalls and H.H. Wills Physics Department (University of Bristol)
Bristol, UK, September 20 2009 to September 26 2009


This Graduate School is an activity of the Psi-k Training Programme in the EU-funded 'Series of Events' Marie Curie Conferences and Training Courses. The other two activities are Hands-on Tutorials and Summer Schools.

The combined theory-hands-on Graduate School on electronic structure methods will take place at Burwalls and the Physics Department in Bristol from Sunday September 20 until Saturday Saterday 26, 2009. There will be 18 lectures over 6 days, 10 lectures on theory and 8 lectures on electronic structure methods. The rest is all hands-on experience with relevant codes. Three theory lectures will give an introduction by E.K.U. Gross to Density Functional Theory (DFT). The 8 lectures on methods will give a bird's eye view of 4 methods:

Each method is introduced by two lectures followed by hands on experience with a modern state of the art code. This unique course allows the students to directly compare a range of different methods with the final lecture dedicated as a guide how to choose the appropriate code for a particular problem. The six remaining theory lectures will cover the tight binding and the recursion methods (2 lectures by J. Annett), introduction to the many body problem (2 lectures by B.L. Gyorffy) and solving the radial Schrodinger and Dirac equations (2 lectures by M. Brooks).

The Bristol University Graduate School is aimed towards giving beginning PhD students:

The Graduate School is motivated by:

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There will be a two stage registration process for the Psi-k Training Graduate School.
To REGISTER for the School you should go here.
To pay your REGISTRATION FEES, once you have registered, you should follow these instructions...

There are three options available to make your payment - registration fees for the Graduate School are 215 per person which includes accommodation and meals.

(1) Credit Card Using PayPal
If you would like to pay by credit card using the PayPal system please contact Shirley Miller who will send you a PayPal payment request by email.

(2) Bank Transfer
If you are paying by bank transfer you MUST reference "PSI-K GRADUATE SCHOOL / YOUR NAME /YOUR EMAIL ADDRESS" on the transfer form so that we can track your payment. Failure to do so may result in your payment being misplaced in our bank account and your registration showing an outstanding amount, which could affect your registration for the workshop. Please use the following bank account details to complete your transfer...

Bank Name and Address: Lloyds Bank PLC, Market Place, Didcot, Oxfordshire OX11 7LQ
Account Name: Science & Technology Facilities Council
Sort Code: 30-93-93

Sterling Account No: 00143698 (for payment in sterling or other currency)
IBAN Number "STERLING": GB17LOYD 30939300 143698

Euro Account No: 59005079 (for payment in EURO's only)
IBAN Number "EURO": GB42LOYD 309393 59005079
Swift Code: LOYDGB2L

(3) Cheque
Cheques should be made payable to "STFC" and sent to Shirley Miller at the following address...

STFC Daresbury Laboratory
Daresbury Science & Innovation Campus

If you require an invoice in order to make the payment please contact Shirley Miller who will arrange for an invoice to be sent.

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Sunday 20 September 2009 (Burwalls)
Registration and welcome17:00 to 20:00
Monday 21 September 2009 
DFT I Lecture (Gross) 09:00 to 10:00
Exciting I (Ambrosch-Draxl) 10:10 to 11:10
Exciting II (Ambrosch-Draxl) 11:30 to 12:30
Lunch 12:30 to 14:30
Exciting: Hands-on 14:30 to 17:30
Dinner 19:00 to 20:00
Posters I 20:00 to 21:00
Tuesday 22 September 2009
ABINIT I (Giantomassi) 1
ABINIT I (Giantomassi) 2
09:00 to 10:00
DFT II Lecture (Gross) 10:10 to 11:10

ABINIT II (Giantomassi) 3
ABINIT II (Giantomassi) 4

11:30 to 12:30
Lunch 12:30 to 14:30
ABINIT: Hands-on 14:30 to 17:30
Dinner 19:00 to 20:00
Posters II 20:00 to 21:00
Wednesday 23 September 2009
SP-KKR I (Ebert) 09:00 to 10:00
SP-KKR II (Ebert) 10:10 to 11:10
DFT III Lecture (Gross) 11:30 to 12:30
Lunch 12:30 to 14:30
SP-KKR: Hands-on 14:30 to 17:30
Dinner 19:00 to 20:00
After Dinner Talk 20:00 to 21:00
Thursday 24 September 2009
Siesta I (Artachio) 09:00 to 10:00
Siesta II (Artachio) 10:10 to 11:10
How to build an atom I (Brooks) 11:30 to 12:30
Lunch 12:30 to 14:30
Siesta: Hands-on 14:30 to 17:30
Banquet 19:00 to 21:00
Friday 25 September 2009 
Tight Binding and Recursion I (Annett) 09:00 to 10:00
How to build an atom II (Brooks) 10:10 to 11:10
Introduction to Many Body I (Gyorffy) 11:30 to 12:30
Lunch 12:30 to 14:30
Hands-on 14:30 to 17:30
Dinner 19:00 to 20:00
Saturday 26 September 2009
Introduction to Many Body II (Gyorffy) 09:00 to 10:00
Tight Binding and Recursion II (Annett) 10:00 to 11:00
Am I using the right method ? (Temmerman) 11:30 to 12:30
Lunch and Close 12:30 to 14:00

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