Exploiting New Advances in Mathematics to Improve Calculations in Quantum Molecular Dynamics

Videos from BIRS Workshop 16w5006

, UCLA
- 09:30
Translational/Rotational Dynamics of Multiple Confined Species
Watch video | Download video: 201601250904-Felker.mp4 (71M)
, University of Tuebingen
- 10:12
Time integration of MCTDH and matrix product states
Watch video | Download video: 201601250931-Lubich.mp4 (133M)
, Virginia Tech
- 11:22
Block-Sparse Tensor Algebra for Electronic Structure of Large Molecules
Watch video | Download video: 201601251057-Valeev.mp4 (56M)
, University of Toronto
- 14:51
Surface Hopping
Watch video | Download video: 201601251420-Kapral.mp4 (79M)
, ETH Zurich
- 15:56
Semiclassical Dynamics in Several Spaces Dimensions with Wavepackets: New Ideas and Challenges
Watch video | Download video: 201601251529-Gradinaru.mp4 (72M)
, Universitaet Bonn
- 17:07
An adaptive multiscale bond order dissection ANOVA approach for efficient electronic structure calculations
Watch video | Download video: 201601251630-Griebel.mp4 (135M)
, University of Basel
- 17:40
Wavelet Boundary Element Methods for the Polarizable Continuum Model
Watch video | Download video: 201601251710-Harbrecht.mp4 (72M)
, University of Alberta
- 09:42
Self-Consistent Filtering Scheme for Efficient Calculations of Observables via the Mixed Quantum-Classical Liouville Approach
Watch video | Download video: 201601260915-Hanna.mp4 (78M)
, Queen's University
- 10:18
Using Contracted Basis Functions and the Lanczos Algorithm to Compute Spectra of Flexible Van der Waals Dimers
Watch video | Download video: 201601260943-Carrington.mp4 (85M)
, Queen's University
- 13:19
Using High-Dimensional Smolyak Interpolation to Solve the Schroedinger Equation and Represent Potentials
Watch video | Download video: 201601261301-Avila.mp4 (43M)
, Virginia Tech University
- 13:49
Stretching Vibrations of the Hydrogen Bond in HOHOH^-
Watch video | Download video: 201601261330-Hagedorn.mp4 (53M)
, Texas Tech University
- 14:26
Quantum Mechanics Without Wavefunctions
Watch video | Download video: 201601261351-Poirier.mp4 (90M)
, Weizmann Institute of Science
- 15:44
Quantum Transitions using Complex-Valued Classical Trajectories
Watch video | Download video: 201601261514-Tannor.mp4 (81M)
, Technische Universität München
- 20:25
Sparse Grids and the Hierarchical Expansion of the Kinetic Energy Operator for the Anharmonic Vibrational Problem
Watch video | Download video: 201601262000-Scheurer.mp4 (106M)
, Queen's University
- 09:56
Improving the Efficiency of Phase-Space Localized Basis Functions
Watch video | Download video: 201601270932-Brown.mp4 (61M)
, University of Lille
- 11:20
The Singular-Value Decomposition Multigrid POTFIT (SVD-MGPF) Algorithm
Watch video | Download video: 201601271045-Pelaez-Ruiz.mp4 (95M)
, Bielefeld University
- 09:29
Symmetry and the Entangled Ro-Vibrational Quantum States of a Fluxional Molecule
Watch video | Download video: 201601280902-Manthe.mp4 (68M)
, Technische Universitat Berlin (Germany)
- 10:00
Alternating Directional Gradient Algorithms and Tensor Completion in Hierachical Tensor Formats
Watch video | Download video: 201601280930-Schneider.mp4 (111M)
, University of Paris-Sud
- 11:19
Efficient Implementation of a Smolyak Sparse-grid Scheme with Non-nested Grids
Watch video | Download video: 201601281046-Lauvergnat.mp4 (78M)
, University of Texas at Dallas
- 13:55
The Hagedorn-Hermite Correspondence
Watch video | Download video: 201601281332-Ohsawa.mp4 (58M)
, Technische Universitaet-Muenchen
- 14:25
Lindblad Dynamics in Phase Space
Watch video | Download video: 201601281356-Troppmann.mp4 (80M)
, Université de Lorraine
- 15:45
Calculating Vibrational Spectra with Symmetrized Sum-of-Product Basis Functions
Watch video | Download video: 201601281514-Leclerc.mp4 (69M)
, TU Darmstadt
- 17:25
Accurate lower band wave function for transitions through avoided crossings
Watch video | Download video: 201601281652-Betz.mp4 (86M)
, Yale University
- 19:59
Time-Sliced Thawed Gaussian Propagation for Simulations of Quantum Dynamics
Watch video | Download video: 201601281933-Batista.mp4 (64M)
, Universitaet Tuebingen
- 20:36
Constraints and Dimensional Reduction in Quantum Mechanics
Watch video | Download video: 201601282003-Teufel.mp4 (97M)
, Queen's University
- 09:27
Using a Non-direct Product Single Particle Function Basis within the Multi-Configurational Time-Dependent Hartree (MCTDH) Approach
Watch video | Download video: 201601290901-Wodraszka.mp4 (69M)
, University of Waterloo
- 09:53
Path Integrals and Quantum Dynamics
Watch video | Download video: 201601290929-Roy.mp4 (61M)
, Skolkovo Institute of Science and Technology
- 11:11
Tensor Train Methods for Quantum Molecular Dynamics
Watch video | Download video: 201601291032-Oseledets.mp4 (118M)