PhD course:

Advanced Course in Modern Molecular Modeling (ACM3)

Current year information 2009/2010

The course 2009/2010 will start in September 2009, with part 3 and 4.

• Part 3: September/October 2009 schedule >>
• Part 4: September/October 2009 schedule >>
• Part 1: November/December 2009
• Part 2: November/December 2010 schedule >>November 3 / December 17 2009
• Part 5: February/march 2010

Earlier years information

2008-10-24: The course 2008-2009 will start with Part 2, Microscopic Concepts. A preliminary is set, starting November 4. More info can be found here >>

Part 1 will most likely run in January-February, followed by the other parts (3,4,5).

Please see the course folder (from last year) for more information about this course, a detailed description of the lectures! >>

Introduction

We welcome you to take part in the PhD course block "Advanced courses in Modern Molecular Modelling (ACM3)", which will be given at the Albanova University Campus in Stockholm! The intention of the courses is to provide theoretical background and practical experience in performing molecular modelling with applications in materials science.

The courses are open for PhD students with a general background in Natural Science. The courses are run by teachers from Theoretical Chemistry KTH, and Physical Chemistry, SU.

The following courses are given:

• Molecular Modelling: Basic Tools (8 ETCS credit points)
• Molecular Modelling: Microscopic Concepts (8 ETCS credit points)
• Molecular Modelling: Macroscopic Concepts (8 ETCS credit points)
• Molecular Modelling: Learning to Fly (8 ETCS credit points)
• Molecular Modelling: Grand Applications (8 ETCS credit points)

This course block covers a variety of aspects within Computational Modelling of Molecules and Materials. It gives a solid basis for theoretically oriented scientists to safely enter the field, as well as all for experimentalists realizing the value of modelling as a complementary tool to their measurements. The set of courses is highly comprehensive as it is given by a group of people both developing and using advanced modelling software covering the length and time scales from atomic dimensions/femtoseconds to micro meters/seconds and even beyond. Knowledge will be given to build an optimal hardware (pc-cluster), to master suitable algorithms for parallel computing of large molecular systems and to perform basic programming.

The course block comprises totally 40 ETCS points, divided to five blocks of 8 ETCS points. The two main techniques are Quantum Chemistry (QC) and Computer simulations (SIM), the QC part consists of three 8 ETCS point blocks whereas SIM part is made of two blocks of 8 ETCS points of which the first contains the basic physicochemical theory needed in simulations. A short orientation in simulations is given in the first QC block. All courses contain plenty of practical exercises and the second (more advanced) block of the SIM part ends with a project where both QC and SIM methods are combined.

       Peter Hammar
       course coordinator (hammar-at-theochem.kth.se)

webmaster-at-theochem.kth.se