# 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 || | + | | Oct. 29th, 2015 || Ewa Anna Oprzeska-Zingrebe || postponed to Nov. 12th, 2015 |

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| 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 & 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. 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 | ||

|- | |- | ||

− | | Dec. 17th, 2015 || Ganesh Sivaraman || | + | | Dec. 17th, 2015 || Ganesh Sivaraman || Computational modeling of hybrid TMD |

|- | |- | ||

− | | Jan. 7th, 2016 || | + | | Jan. 7th, 2016 || --- || --- |

|- | |- | ||

− | | Jan. 14th, 2016 || Milena Smiljanic || Collision detection methods for particle agglomerations | + | | 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. 21st, 2016 || Bibek Adhikari || Quantum mechanical calculations for metal surfaces | ||

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− | | Jan. 28th, 2016 || | + | | 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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|} | |} |

## Latest revision as of 19:16, 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 |