Difference between revisions of "Efficient Algorithms for Soft Matter WS 2013/2014"
Jump to navigation
Jump to search
(→Topics) |
|||
| (One intermediate revision by the same user not shown) | |||
| Line 4: | Line 4: | ||
:Oberseminar (Presentations and Discussion) | :Oberseminar (Presentations and Discussion) | ||
;Date and Time | ;Date and Time | ||
| − | : | + | :biweekly Tu 10:30 and We 13:00 (starting on October 15/16) |
;Location | ;Location | ||
:Institut für Computerphysik, Meeting room | :Institut für Computerphysik, Meeting room | ||
| Line 16: | Line 16: | ||
:We expect the participants to have fundamental knowledge in statistical mechanics, thermodynamics, electrodynamics and numerical algorithms. | :We expect the participants to have fundamental knowledge in statistical mechanics, thermodynamics, electrodynamics and numerical algorithms. | ||
| − | = | + | = Topical Meeting: Advanced Sampling Techniques = |
| − | + | {{:Advanced sampling techniques topical meeting}} | |
| + | |||
| + | = Topical Meeting: Electrokinetics = | ||
| + | |||
| + | {{:Electrokinetics topical meeting}} | ||
Latest revision as of 11:39, 1 October 2013
Overview
- Type
- Oberseminar (Presentations and Discussion)
- Date and Time
- biweekly Tu 10:30 and We 13:00 (starting on October 15/16)
- Location
- Institut für Computerphysik, Meeting room
- Teachers
- Axel Arnold
- Course Number
- 04745
- Language
- English
- Requirements
- We expect the participants to have fundamental knowledge in statistical mechanics, thermodynamics, electrodynamics and numerical algorithms.
Topical Meeting: Advanced Sampling Techniques
Group leader: Kai Kratzer Members: Angel Diaz Carral, Ewa Anna Oprzeska-Zingrebe, Fabian Zills, Maria Fyta, Samuel Tovey
In this topical group, we discuss advanced / meta sampling techniques. We concentrate on two main problems, namely the sampling of rare transitions and free energies.
Schedule
The meeting takes place every three weeks on Tuesdays at 10:30, if not indicated differently.
WS 2014/2015
- Tue, 02.12.2014: Progress reports
- Tue, 11.11.2014: Rare event sampling with FFS, SPRES and FRESHS. Introduction of the work of the new group members
- Tue, 21.10.2014: Initial meeting WS 2014/2015, progress reports
SS 2014
- Tue, 9.9.2014: Progress reports
- Tue, 19.8.2014: Progress reports
- Tue, 29.7.2014: Progress reports
- Tue, 08.07.2014: Progress reports
- Tue, 17.06.2014: Progress reports
- Tue, 27.05.2014: Progress reports
- Tue, 06.05.2014: Progress reports
- Tue, 15.04.2014: Progress reports
WS 2013/2014
- Tue, 25.03.2014 (10:00): Progress reports, short presentations of the advanced sampling contributions for the DPG spring meeting.
- Tue, 04.03.2014: Progress reports and crystallization of charged macromolecules as rare event (KK)
- Tue, 04.02.2014: Progress report (JZ), Calculating surface tension and chemical potential (TK)
- Tue, 21.01.2014: Progress report (ET), FFS using automatic, optimized interface placement (KK)
- Tue, 07.01.2014: Progress report (TK), Umbrella Sampling, Metadynamics (JM, JL)
- Tue, 10.12.2013: Progress report (JL), Parallel FFS simulations, statistics backtracking, decorrelation and efficient simulation control (KK,JZ)
- Tue, 26.11.2013: Progress report (JM), FRESHS: The Flexible Rare Event Sampling Harness System (KK)
- Tue, 12.11.2013: Progress report (KK), free energy landscapes and stationary distributions (JZ)
- Tue, 29.10.2013: Progress report (TK, KK), order parameters / reaction coordinates / collective variables (ET)
- Tue, 15.10.2013: Introduction (JZ, ET), progress report (JZ)
- Tue, 17.09.2013: Initial meeting & introduction (KK, TK, JL, JM)
Tools
For rare events, we use
- Forward Flux Sampling
- Transition Interface Sampling
The standard tool here is FRESHS
For free energy calculations
- Umbrella Sampling
- Metadynamics
The standard tool here is PLUMED
Topical Meeting: Electrokinetics
- REDIRECT Hydrodynamics topical meeting