FYS4411 - Spring 2012

Teaching plan

DateTeacherPlaceTopicLecture notes / comments
19.01.2012Gustav R. Jansen (GRJ)  FV329  Introduction to the course, computing topics and introduction of national supercomputing resources  The course is based on one large project which has to be approved. The final oral exam is based on this project.

The first 4 weeks we will introduce various topics in quantum mechanical many-body physics, with an emphasis on topics relevant for material science, solid state physics and quantum chemistry.

The first part of the project deals with the development of a variational Monte Carlo program for quantum dots. We will study various closed shell dots using variational Monte Carlo. We start thus with studies of atoms using variational Monte Carlo. Material: Lecture notes chapter 14 and chapter 4.7 on parallelization.  

02.02.2012GRJ  FV329    Discussion of variational Monte Carlo methods and project work. 
09.02.2012GRJ  FV329  Quantum dots  We discuss quantum dots and how to obtain closed form expressions for the local energy. Slides and Chapter 14 of lecture notes. Project work. This week we should try to finish part 1b.

Slides on quantum dots

Slides on code structure 

16.02.2012GRJ  FV329  Variational Monte Carlo  Blocking and importance sampling. Project work. This week you should have finished implementing importance sampling and start with implementing blocking. This means that we should try to implement blocking as well.  
23.02.2012GRJ  FV329  Variational Monte Carlo  Parallell systems, onebody densities and blocking. Slides

Project work - Parts 1a and 1b should be done by now and you should be well on your way on parts 1c and 1d.  

01.03.2012GRJ  FV329  Variational Monte Carlo  Minimization of multivalue functions via the conjugate gradient method, chapter 16 of Lecture notes. The minimization method we will discuss is from chapter 10.7 of numerical recipes.  
08.03.2012GRJ  FV329  Slater determinants  We discuss the efficient implementation of wavefunction ratios and analytic differentials of Slater determinants. 
15.03.2012No lecture  FV329  Project work   
22.03.2012No lecture, only project work  FV329  Project work   
29.03.2012No lecture  FV329  Project work  Last project session before the holidays. 
05.04.2012No lecture    Easter   
12.04.2012No lecture  FV329  Project work   
15.04.2012    Deadline progress report  This is the deadline for the mandatory progress report. I need about one page on what you have done on the project so far, together with a copy of the git repository containing your code.

The code should be complete with makefiles, comments and a separate directory for regression tests.  

19.04.2012GRJ  FV329  Diffusion Monte Carlo  Discussion of project 2. 
03.05.2012GRJ  FV329   Scientific reports  We will have a discussion session on writing scientific reports and the report for this course. To guide the discussions you can look at this document and the documents in this folder.

In the lab session, we will focus on getting the code completed and running numerical experiments. 

Published Dec. 27, 2011 1:25 PM - Last modified Apr. 30, 2012 2:24 PM
E-mail this page