# 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 || --- || --- | ||

|- | |- | ||

− | | Dec. 3rd, 2015 || Florian Weik || Ionic currents in nanopores | + | | Dec. 3rd, 2015 || Florian Weik || Ionic currents in nanopores |

|- | |- | ||

− | | Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions | + | | Dec. 10th, 2015 || Jan Meisner || Tunneling effects in chemical reactions |

|- | |- | ||

− | | Dec. 17th, 2015 || Ganesh Sivaraman || Solid state DFT calculations and band structures | + | | 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. 7th, 2016 || Anand Narayanan Krishnamoorthy || Kirkwood-Buff theory for polyelectrolyte solutions |

|- | |- | ||

− | | Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations | + | | Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations |

|- | |- | ||

− | | Jan. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces | + | | Jan. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces |

|- | |- | ||

− | | Jan. 28th, 2016 || Jim Magiera || Molecular simulations of liquid-vapour interfaces | + | | Jan. 28th, 2016 || Jim Magiera || Molecular simulations of liquid-vapour interfaces |

|- | |- | ||

− | | Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids | + | | Feb. 4th, 2016 || Konrad Breitsprecher || Coarse-grained models for ionic liquids |

|- | |- | ||

|} | |} |

## 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 |