Difference between revisions of "Molecular Simulations"

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! Date !! Speaker !! Topic  
 
! Date !! Speaker !! Topic  
 
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| Oct. 29th, 2015 || Ewa Anna Oprzeska-Zingrebe || Reaction coordinates in biomolecular simulations
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| Oct. 29th, 2015 || Ewa Anna Oprzeska-Zingrebe || postponed to Nov. 12th, 2015
 
|-
 
|-
 
| 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  
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| Nov. 12th, 2015 || Georg Rempfer & Ewa Anna Oprzeska-Zingrebe|| Continuum models for ionic transport & Reaction coordinates in biomolecular simulations
 
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|-
 
| Nov. 19th, 2015 || Pradipta Samanta || Molecular properties by quantum mechanical calculations  
 
| Nov. 19th, 2015 || Pradipta Samanta || Molecular properties by quantum mechanical calculations  
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| Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions  
 
| Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions  
 
|-
 
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| Dec. 17th, 2015 || Ganesh Sivaraman || Solid state DFT calculations and band structures
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| Dec. 17th, 2015 || Ganesh Sivaraman || Computational modeling of hybrid TMD
 
|-
 
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| Jan. 7th, 2016 || Anand Narayanan Krishnamoorthy || Kirkwood-Buff theory for polyelectrolyte solutions
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| Jan. 7th, 2016 || --- || ---
 
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| Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations  
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| Jan. 14th, 2016 || Anand Narayanan Krishnamoorthy & Milena Smiljanic || Kirkwood-Buff theory for polyelectrolyte solutions & Collision detection methods for particle agglomerations  
 
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| Jan. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces  
 
| 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 || Alexander Kiselev || Interatomic potentials
 
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| Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids  
 
| Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids  
 
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|}
 
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Latest revision as of 20:16, 31 December 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 postponed to Nov. 12th, 2015
Nov. 5th, 2015 Michael Lahnert Octal trees and adaptive Lattice-Boltzmann methods
Nov. 12th, 2015 Georg Rempfer & Ewa Anna Oprzeska-Zingrebe Continuum models for ionic transport & Reaction coordinates in biomolecular simulations
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 Computational modeling of hybrid TMD
Jan. 7th, 2016 --- ---
Jan. 14th, 2016 Anand Narayanan Krishnamoorthy & Milena Smiljanic Kirkwood-Buff theory for polyelectrolyte solutions & Collision detection methods for particle agglomerations
Jan. 21st, 2016 Bibek Adhikari Quantum mechanical calculations for metal surfaces
Jan. 28th, 2016 Alexander Kiselev Interatomic potentials
Feb. 4th, 2016 Konrad Breitsprecher Coarse-grained models for ionic liquids