Difference between revisions of "Molecular Simulations"

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| Oct. 29th, 2015 || Ewa Anna Oprzeska-Zingrebe || Reaction coordinates in biomolecular simulations
 
| Oct. 29th, 2015 || Ewa Anna Oprzeska-Zingrebe || Reaction coordinates in biomolecular simulations
 
|-
 
|-
| Nov. 5th, 2015 || Michael Lahnert || Octal trees and adaptive Lattice-Boltzmann methods
+
| Nov. 5th, 2015 || Michael Lahnert || Octal trees and adaptive Lattice-Boltzmann methods  
 
|-
 
|-
 
| Nov. 12th, 2015 || Georg Rempfer || Continuum models for ionic transport  
 
| Nov. 12th, 2015 || Georg Rempfer || Continuum models for ionic transport  
 
|-
 
|-
| Nov. 19th, 2015 || Pradipta Samanta || Molecular properties by quantum mechanical calculations
+
| Nov. 19th, 2015 || Pradipta Samanta || Molecular properties by quantum mechanical calculations  
 
|-
 
|-
 
| Nov. 26th, 2015 || --- || ---
 
| Nov. 26th, 2015 || --- || ---
 
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|-
| Dec. 3rd, 2015 || Florian Weik || Ionic currents in nanopores
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| Dec. 3rd, 2015 || Florian Weik || Ionic currents in nanopores  
 
|-
 
|-
| Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions
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| Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions  
 
|-
 
|-
| Dec. 17th, 2015 || Ganesh Sivaraman || Solid state DFT calculations and band structures
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| Dec. 17th, 2015 || Ganesh Sivaraman || Solid state DFT calculations and band structures  
 
|-
 
|-
| Jan. 7th, 2016 || Anand Narayanan Krishnamoorthy || Kirkwood-Buff theory for polyelectrolyte solutions
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| Jan. 7th, 2016 || Anand Narayanan Krishnamoorthy || Kirkwood-Buff theory for polyelectrolyte solutions  
 
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|-
| Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations
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| Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations  
 
|-
 
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| Jan. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces
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| Jan. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces  
 
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| Jan. 28th, 2016 || Jim Magiera || Molecular simulations of liquid-vapour interfaces
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| Jan. 28th, 2016 || Jim Magiera || Molecular simulations of liquid-vapour interfaces  
 
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| Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids
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| Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids  
 
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|}
 
|}

Revision as of 17:12, 15 October 2015

Overview

Course
Graduate School Simulation Technology Seminar (2 SWS)
Lecturer
Dr. Jens Smiatek
JP Dr. Niels Hansen
Language
English
Time and rooms
Thursday, 14:00-15:30 (ICP Meeting Room 1.077, Allmandring 3)

Intention

The participants should present their work with a particular focus on the background of the used methods.

Schedule

Date Speaker Topic
Oct. 29th, 2015 Ewa Anna Oprzeska-Zingrebe Reaction coordinates in biomolecular simulations
Nov. 5th, 2015 Michael Lahnert Octal trees and adaptive Lattice-Boltzmann methods
Nov. 12th, 2015 Georg Rempfer Continuum models for ionic transport
Nov. 19th, 2015 Pradipta Samanta Molecular properties by quantum mechanical calculations
Nov. 26th, 2015 --- ---
Dec. 3rd, 2015 Florian Weik Ionic currents in nanopores
Dec. 10th, 2015 Jan Meisner Tunneling effects in chemical reactions
Dec. 17th, 2015 Ganesh Sivaraman Solid state DFT calculations and band structures
Jan. 7th, 2016 Anand Narayanan Krishnamoorthy Kirkwood-Buff theory for polyelectrolyte solutions
Jan. 14th, 2016 Milena Smiljanic Collision detection methods for particle agglomerations
Jan. 21st, 2016 Bibek Adhikari Quantum mechanical calculations for metal surfaces
Jan. 28th, 2016 Jim Magiera Molecular simulations of liquid-vapour interfaces
Feb. 4th, 2016 Konrad Breitsprecher Coarse-grained models for ionic liquids