Exploiting New Advances in Mathematics to Improve Calculations in Quantum Molecular Dynamics
Videos from BIRS Workshop
Peter Felker, UCLA
Monday Jan 25, 2016 09:04 - 09:30
Translational/Rotational Dynamics of Multiple Confined Species
Christian Lubich, Univ. Tübingen
Monday Jan 25, 2016 09:31 - 10:12
Time integration of MCTDH and matrix product states
Edward Valeev, Virginia Tech
Monday Jan 25, 2016 10:57 - 11:22
Block-Sparse Tensor Algebra for Electronic Structure of Large Molecules
Raymond Kapral, University of Toronto
Monday Jan 25, 2016 14:20 - 14:51
Surface Hopping
Vasile Catrinel Gradinaru, ETH Zurich
Monday Jan 25, 2016 15:29 - 15:56
Semiclassical Dynamics in Several Spaces Dimensions with Wavepackets: New Ideas and Challenges
Michael Griebel, Universitaet Bonn
Monday Jan 25, 2016 16:30 - 17:07
An adaptive multiscale bond order dissection ANOVA approach for efficient electronic structure calculations
Helmut Harbrecht, University of Basel
Monday Jan 25, 2016 17:10 - 17:40
Wavelet Boundary Element Methods for the Polarizable Continuum Model
Gabriel Hanna, University of Alberta
Tuesday Jan 26, 2016 09:15 - 09:42
Self-Consistent Filtering Scheme for Efficient Calculations of Observables via the Mixed Quantum-Classical Liouville Approach
Tucker Carrington, Queen's University
Tuesday Jan 26, 2016 09:43 - 10:18
Using Contracted Basis Functions and the Lanczos Algorithm to Compute Spectra of Flexible Van der Waals Dimers
Gustavo Avilla, Queen's University
Tuesday Jan 26, 2016 13:01 - 13:19
Using High-Dimensional Smolyak Interpolation to Solve the Schroedinger Equation and Represent Potentials
George Hagedorn , Virginia Tech University
Tuesday Jan 26, 2016 13:30 - 13:49
Stretching Vibrations of the Hydrogen Bond in HOHOH^-
Bill Poirier, Texas Tech University
Tuesday Jan 26, 2016 13:51 - 14:26
Quantum Mechanics Without Wavefunctions
David Tannor, Weizmann Institute of Science
Tuesday Jan 26, 2016 15:14 - 15:44
Quantum Transitions using Complex-Valued Classical Trajectories
Christoph Scheurer, Technische Universität München
Tuesday Jan 26, 2016 20:00 - 20:25
Sparse Grids and the Hierarchical Expansion of the Kinetic Energy Operator for the Anharmonic Vibrational Problem
James Brown, Queen's University
Wednesday Jan 27, 2016 09:32 - 09:56
Improving the Efficiency of Phase-Space Localized Basis Functions
Daniel Pelaez-Ruiz, University of Lille
Wednesday Jan 27, 2016 10:45 - 11:20
The Singular-Value Decomposition Multigrid POTFIT (SVD-MGPF) Algorithm
Uwe Manthe, Bielefeld University
Thursday Jan 28, 2016 09:02 - 09:29
Symmetry and the Entangled Ro-Vibrational Quantum States of a Fluxional Molecule
Reinhold Schneider, Technische Universitat Berlin (Germany)
Thursday Jan 28, 2016 09:30 - 10:00
Alternating Directional Gradient Algorithms and Tensor Completion in Hierachical Tensor Formats
David Lauvergnat, University of Paris-Sud
Thursday Jan 28, 2016 10:46 - 11:19
Efficient Implementation of a Smolyak Sparse-grid Scheme with Non-nested Grids
Tomoki Ohsawa, University of Texas at Dallas
Thursday Jan 28, 2016 13:32 - 13:55
The Hagedorn-Hermite Correspondence
Stephanie Troppmann, Technische Universitaet-Muenchen
Thursday Jan 28, 2016 13:56 - 14:25
Lindblad Dynamics in Phase Space
Arnaud Leclerc, Université de Lorraine
Thursday Jan 28, 2016 15:14 - 15:45
Calculating Vibrational Spectra with Symmetrized Sum-of-Product Basis Functions
Volker Betz, TU Darmstadt
Thursday Jan 28, 2016 16:52 - 17:25
Accurate lower band wave function for transitions through avoided crossings
Victor Batista, Yale University
Thursday Jan 28, 2016 19:33 - 19:59
Time-Sliced Thawed Gaussian Propagation for Simulations of Quantum Dynamics
Stefan Teufel, Universitaet Tuebingen
Thursday Jan 28, 2016 20:03 - 20:36
Constraints and Dimensional Reduction in Quantum Mechanics
Robert Wodraszka, Queen's University
Friday Jan 29, 2016 09:01 - 09:27
Using a Non-direct Product Single Particle Function Basis within the Multi-Configurational Time-Dependent Hartree (MCTDH) Approach
Pierre-Nicholas Roy, University of Waterloo
Friday Jan 29, 2016 09:29 - 09:53
Path Integrals and Quantum Dynamics
Ivan Oseledets, Skolkovo Institute of Science and Technology
Friday Jan 29, 2016 10:32 - 11:11
Tensor Train Methods for Quantum Molecular Dynamics
