| Date | Teacher | Place | Topic | Lecture notes / comments |
| 17.01.2008 | Morten Hjorth-Jensen (MHJ)? | FV329? | Introduction to the course? | The course is split in two parts, one taught by Morten Hjorth-Jensen till the end of march and one taught by Eirik Grude Flekk?y, 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. 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.? |
| 18.01.2008 | MHJ? | 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.? |
| 24.01.2008 | MHJ? | FV329? | Computing topics, parallelization and object orientation? | We discuss how to parallelize codes and use national supercomputing clusters.? |
| 25.01.2008 | MHJ? | FV311? | Quantum mechanical systems? | We continue the discussion on Hartree-Fock and density functional theories.? |
| 31.01.2008 | MHJ? | FV329? | Computing topics? | We continue the discussion on object orientation and build up how to represent atomic data and perform Hartree-Fock calculations? |
| 01.02.2008 | MHJ? | FV311? | Quantum mechanical systems? | More on density functional theories, now with an emphasis on solid state systems.? |
| 07.02.2008 | MHJ? | FV329? | Computing topics and quantum Monte Carlo? | We continue the discussion on how to perform Hartree-Fock calculations. Start of Variational Monte Carlo, chapter 11 of lecture notes. ? |
| 08.02.2008 | MHJ? | FV311? | Variational Monte Carlo? | We review the basic principles and discuss the bruce force metropolis algorithm. Applications to the helium atom.? |
| 14.02.2008 | MHJ? | FV329? | Computing topics? | We discuss how to use the Singular value decomposition method to parameterize data from statistical analyses such as Monte Carlo calculations. We discuss also how to handle statistical data with the Blocking and Jack-Knife methods. These parts have to be included in the project.? |
| 15.02.2008 | MHJ? | FV311? | Variational Monte Carlo? | We continue the discussion of Variational Monte Carlo techniques. In particular we focus on importance sampling and introduce the Fokker-Planck equation and the Langevin equation.? |
| 21.02.2008 | MHJ? | FV329? | Variational Monte Carlo? | We continue 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. We discuss also to minimize wrt to energy and variance. ? |
| 22.02.2008 | MHJ? | FV311? | Slater determinants for VMC? | We start with the last part of this project, namely how to construct a Slater determinant for Monte Carlo calculations.? |
| 28.02.2008 | MHj? | FV329? | Construction of Slater determinants? | We continue our discussion on how to construct a Slater determinant for Monte Carlo calculations.? |
| 01.03.2008 | MHJ? | FV311? | Slater determinants? | We discuss now how to use the Hartree-Fock calculations in order ot obtain improved Slater determinants.? |
| 06.03.2008 | MHJ? | FV329? | Computational topics? | We discuss in more detail how to parallelize our final program. Prepare for production runs with optimized Slater determinants,? |
| 07.03.2008 | MHJ? | FV311? | Diffusion Monte Carlo? | The last topic, which will not be implemented in the project, ends our theory part and deals with diffusion Monte Carlo.? |
| 13.03.2008 | MHJ? | FV329? | Parallel random number generators? | We discuss further parallelization topics and focus also on diffusion Monte Carlo (not part of the project).? |
| 14.03.2008 | MHJ? | FV311? | Summary of theory part and discussion of results? | This is the last theory lecture and we summarize where we are wrt project 1. The week after easter is lecture free and we use it for project summary only and final calculations. ? |
| 27.03.2008 | No lectures this week? | ? | ? | Finalize project 1.? |
| 03.04.2008 | Eirik Grude Flekk?y (EGF)? | FV329? | Eirik's part begins? | ? |
Teaching plan
Published Jan. 16, 2007 10:03 AM
- Last modified Dec. 20, 2007 9:16 PM