Hi everyone, We will have a special group meeting this Wednesday(10/31) at 2:30 pm. The speaker is Shirin Faraji from Ruprecht-Karls Universität Heidelberg . If you want to sign up for a meeting with her after the talk, let me know. She is available for meeting with group members from 3:30 - 4:30. Below is the abstract of her talk: Title: Multi-mode multi-state quantum dynamics on medium-sized and relatively large molecules * Breakdown of the Born-Oppenheimer approximation and nonadiabatic chemistry * Diabatization methods * Vibronic Coupling model * Vibronic Coupling dynamics * Wave-packet propagation -Standard methods -Time Dependent Hartree method -Multi Configuration Time Dependent Hartree (MCTDH) *Application of multi-state multi-mode vibronic coupling model on medium-sized polyatomic molecules utilizing MCTDH * Towards larger molecules: -Multi-layer MCTDH -Effective mode algorithm -System-bath formalism _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list