# Theoretical Chemistry group meeting archive

Date | Topic | Presenter | Materials |
---|---|---|---|

2017-06-16 | Explanation of Centroid Dynamics | Lindsay Orr | |

2017-05-05 | Quantum correlations in molecular rotor systems | Thomas Halverson | slides |

2017-04-21 | Confined Quantum Molecule Degrees of Freedom: Symmetry-breaking in H_{2}@C_{60} Endofullerene |
Jianying Sheng | slides |

2017-04-07 | Benchmark of Model Magnetic Systems | Siyuan Wu | slides |

2017-02-24 | Local Pair Natural Orbital Variant of Mukherjee's Multireference Coupled Cluster Method | OndÅ™ej Demel | |

2017-02-03 | Second Order Classical Perturbation Theory For The Sticking Probability Of Heavy Atoms Scattered On Surfaces | Tapas Sahoo | slides |

2017-01-27 | Theoretical study of methane containing molecular pairs | Yulia Kalugina | slides |

2017-01-13 | Entanglement in superfluid helium-4: a window into quantum information in matter | Chris Herdman |

Date | Topic | Presenter | Materials |
---|---|---|---|

2016-12-21 | Transition State Searching with Vibronic Model | Xiaotian Chen | slides |

2016-12-16 | Benchmark of Model Magnetic Systems | Piaoyu Hu | |

2016-11-25 | Entanglement in superfluids | Chris Herdman | |

2016-11-18 | Quantum free energy calculations using path integral molecular dynamics | Kevin Bishop | slides |

2016-11-11 | Ergodicity in Path Integral Simulations | Matthew Schmidt | slides |

2016-10-28 | Modelling of Potential Energy Surfaces for Chemical Reactions using Vibronic Models | Prateek Goel | |

2016-10-21 | Simulating experimental error with the Bose-Hubbard model | Dmitri Iouchtchenko | notes |

2016-09-30 | Thermodynamic Properties of Nonadiabatic Systems | Neil Raymond | slides |

2016-09-23 | Exact Quantum Dynamics Calculations of Large Dimensional Molecules using Phase Space Basis Truncation | Thomas Halverson | slides |