| Date | Teacher | Place | Topic | Lecture notes / comments |
| 17.01.2008 | Morten 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. |
| 18.01.2008 | 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, 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. |
| 25.01.2008 | MHJ | FV311 | Quantum mechanical systems | We continue the discussion on Hartree-Fock and density functional theories. |
| 31.01.2008 | MHJ, 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 |
| 01.02.2008 | MHJ | FV311 | Quantum mechanical systems | We end the derivation of the Hartre-Fock equations and begin with density functional theories. |
| 07.02.2008 | MHJ, 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. |
| 08.02.2008 | MHJ | 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. |
| 14.02.2008 | MHJ, 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. |
| 15.02.2008 | MHJ | FV311 | Variational Monte Carlo | We start the discussion of Variational Monte Carlo techniques. |
| 21.02.2008 | MHJ, 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. |
| 22.02.2008 | MHJ | 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. |
| 28.02.2008 | MHJ, 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. |
| 29.02.2008 | MHJ | 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. |
| 06.03.2008 | MHJ, 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. |
| 07.03.2008 | MHJ | 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. |
| 13.03.2008 | MHJ, 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. |
| 14.03.2008 | MHJ | No lecture | ||
| 27.03.2008 | Eirik Grude Flekkøy (EGF) | Eirik's part begins. | Finalize project 1. |
Teaching plan
Published Dec. 20, 2007 9:15 PM
- Last modified Mar. 13, 2008 9:08 AM