Teaching plan

DateTeacherPlaceTopicLecture notes / comments
17.01.2008Morten Hjorth-Jensen (MHJ). Jon Nilsen (JN) will be at the lab every thursday til march 13th.  FV329  Introduction to the course, computing topics and introduction of national supercomputing resources  The course is split in two parts, one taught by Morten Hjorth-Jensen till the end of march and one taught by Eirik Grude Flekkøy, which starts the first week of april and ends the last week of may.

The course is based on two to three large projects which have to be approved. There is no final exam, approval of the projects means that one has passed the course. The only mark is passed/not passed.

In the first lecture we discuss how to parallelize codes and use national supercomputing clusters. During the computer lab session, Jon Nilsen will give an overview on the Titan supercomputing cluster, see here for the link to his presentation.

Morten Hjorth-Jensen's part deals with Computational material science, with an emphasis on density functional theory and Monte Carlo methods. There is only one project and we will work with this throughout the whole period. Deadline for project 1 is April 2 2008.


18.01.2008MHJ  FV311  Introduction to quantum mechanical studies of atoms and solid state physics  We start with studies of atoms using Hartree-Fock theory. This serves the aim of introducing concepts from density functional theory. Chapter 17 of lecture notes. 
24.01.2008MHJ, JN  FV329  Computing topics, parallelization and object orientation  We continue our discussion of parallelization, but the main focus is on solving the schroedinger equation for one particle. We discuss Numerov's method and how to treat the Fock term. The algorithm for doing the Hartree-Fock calculations is exposed. 
25.01.2008MHJ  FV311  Quantum mechanical systems  We continue the discussion on Hartree-Fock and density functional theories. 
31.01.2008MHJ, JN  FV329  Computing topics, Numerov's method and differential equations  We continue the discussion on Numerov'smethod and how to solve a differential equation with boundary conditions and how to perform Hartree-Fock calculations 
01.02.2008MHJ  FV311  Quantum mechanical systems  We end the derivation of the Hartre-Fock equations and begin with density functional theories. 
07.02.2008MHJ, JN  FV329  Computing topics and the Hartree-Fock equations  We continue the discussion on how to perform Hartree-Fock calculations. We finalize the formalism needed for understanding the derivation of the Hartree-Fock equations. 
08.02.2008MHJ  FV311  Density functional theory and Variational Monte Carlo  The Hartree-Fock lectures end with a survey on Density functional theory. We begin to review the basic principles of variational Monte Carlo. 
14.02.2008MHJ, JN  FV329  Computing topics  We should by the end of this week be able to run our Hartree-Fock program for the Helium atom. We should also spell out the Hartree-Fock equations for Beryllium and Neon. 
15.02.2008MHJ  FV311  Variational Monte Carlo  We start the discussion of Variational Monte Carlo techniques. 
21.02.2008MHJ, JN  FV329  Variational Monte Carlo  We start with importance sampling and the Fokker-Planck equation and the Langevin equation. We discuss how to implement these methods in order to achieve better variances.

We discuss how to handle statistical data with the Blocking method.  

22.02.2008MHJ  FV311  Importance sampling and VMC  We continue the discussion on analysis of statistical data. We start the discussion of importance sampling and the Fokker-Planck equation and the Langevin equation. We discuss how to implement these methods in order to achieve better variances.


28.02.2008MHJ, JN  The lecture 14-16 will be in Store Fys. Aud. From 16.15-19 we are at FV329  Importance sampling  We continue our discussion on importance sampling and how to implement it in the code. Furthermore, how to interpolate data (wf from hartree-fock part) with qubic splines is discussed. We discuss also the Monte carlo blocking code. 
29.02.2008MHJ  FV311  Slater determinants and Importance sampling  We discuss now how to use the Hartree-Fock calculations in order to obtain improved Slater determinants. We start also the discussion of how to construct a Slater determinant for beryllium and neon and finish the importance sampling discussion. 
06.03.2008MHJ, JN  FV329  Computational topics  We discuss in more detail how to parallelize our final program. Prepare for production runs with importance sampling for helium, and if time allows for beryllium as well. 
07.03.2008MHJ  FV311  Slater determinants  We discuss how to construct a Slater determinant for our VMC code. Links between importance sampling and diffusion Monte carlo will also be discussed. 
13.03.2008MHJ, JN  FV329  Slater determinant and summary of course  We discuss how to compute the Slater determinant. This is the last lecture and we summarize project 1. We discuss also what to include in the final report. A revised version of the report is available.

Final notes on the Langevin and Fokker-Planck equations are also provided. 

14.03.2008MHJ    No lecture   
27.03.2008Eirik Grude Flekkøy (EGF)     Eirik's part begins.  Finalize project 1. 
Published Dec. 20, 2007 9:15 PM - Last modified Mar. 13, 2008 9:08 AM