Mathematical Methods in Quantum Molecular Dynamics

Videos from BIRS Workshop 13w5018

, University of Toronto
- 09:29
Nonadiabatic Dynamics in Open Quantum–Classical Systems
Watch video | Download video: 201304290904-Kapral.mp4 (57M)
, University of Tuebingen
- 10:01
On the MCTDH method
Watch video | Download video: 201304290930-Kapral.mp4 (97M)
, University of Tuebingen
- 10:01
On the MCTDH method
Watch video | Download video: 201304290930-Lubich.mp4 (107M)
, Universitaet Tuebingen
- 11:34
Spontaneous decay of resonant energy levels for molecules with moving nuclei
Watch video | Download video: 201304291100-Teufel.mp4 (89M)
, Universitaet Bonn
- 16:03
On the ANOVA decomposition of high–dimensional functions with applications to chemistry
Watch video | Download video: 201304291530-Griebel.mp4 (110M)
, University of Frankfurt
- 16:32
Multiconfiguration time–dependent Hartree with variational Gaussian wavepackets: flexible frozen Gaussian–based representations using two (and more) layers
Watch video | Download video: 201304291604-Burghardt.mp4 (68M)
, Bielefeld University
- 09:25
Multi–layered wavefunction representations and quadratures: the multi–configurational time–depen- dent Hartree approach
Watch video | Download video: 201304300859-Manthe.mp4 (85M)
, Technische Universitat Munchen
- 09:57
Semiclassical approximations for quantum molecular dynamics: a computational point of view
Watch video | Download video: 201304300925-Lasser.mp4 (83M)
, University of Wisconsin-Madison
- 11:21
Semi–classical models for the Schrödinger equation with periodic potentials and band–crossings
Watch video | Download video: 201304301100-Jin.mp4 (47M)
, Queen's University
- 11:56
Using Smolyak grids and bases pruned to include strongly coupled basis functions to solve the vibrational Schroedinger equation in 12–d
Watch video | Download video: 201304301121-Carrington.mp4 (91M)
, The Ohio State University
- 14:26
Diffusion Monte Carlo Approaches for studying rotational and vibrational motions of highly anharmonic systems
Watch video | Download video: 201304301400-Mccoy.mp4 (62M)
, Universite Paris Est
- 15:02
Single switch algorithm for molecular dynamics
Watch video | Download video: 201304301427-FermanianKammerer.mp4 (93M)
, University of Paris-Sud
- 15:56
Quantum dynamics with sparse grid: a combination of Smolyak scheme and cubature
Watch video | Download video: 201304301529-Lauvergnat.mp4 (58M)
, Virginia Tech
- 16:23
Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse
Watch video | Download video: 201304301556-Hagedorn.mp4 (73M)
, University of Waterloo
- 16:55
Dynamics of quantum rotors in complex environments
Watch video | Download video: 201304301623-Roy.mp4 (75M)
, Texas Tech University
- 09:30
Exact Quantum Dynamics Calculations using Phase Space Wavelets
Watch video | Download video: 201305010902-Poirier.mp4 (79M)
, University of California, Berkeley
- 09:59
Using the Initial Value Representation of Semiclassical Theory to Add Quantum Effects to Classical Molecular Dynamics Simulations
Watch video | Download video: 201305010931-Miller.mp4 (86M)
, Technische Universitat Berlin (Germany)
- 10:30
Approximation of the electronic Schr ̈odinger equation by low rank approximation in novel tensor formats
Watch video | Download video: 201305011000-Schneider.mp4 (75M)
, Virginia Tech
- 11:35
Multiresolution spectral–element representations of electronic wave functions
Watch video | Download video: 201305011101-Valeev.mp4 (85M)
, Sapienza Universita di Roma
- 12:05
Topological invariants of eigenvalue intersections and decrease of Wannier functions
Watch video | Download video: 201305011136-Panati.mp4 (87M)
, University of Leeds
- 19:29
Basis sets of trajectory guided Gaussians for efficient and accurate multidimensional quantum dy- namics
Watch video | Download video: 201305011900-Shalashilin.mp4 (85M)
, University of Birmingham
- 19:56
Using time–dependent Gaussian basis sets in quantum dynamics simulations
Watch video | Download video: 201305011930-Worth.mp4 (65M)
, Emory University
- 20:28
Exact 6d quantum vibrational calculation of three isomers of H2CO using a new accurate ab initio potential energy surface
Watch video | Download video: 201305011957-Wang.mp4 (74M)
, Institut Fourier, Université Grenoble 1
- 09:31
Emergence of exponentially accurate reflected or tunneling semiclassical wave packets
Watch video | Download video: 201305020902-Joye.mp4 (69M)
, University of Heidelberg
- 09:59
POTFIT and Multigrid POTFIT. Transforming general multi-potential energy surfaces to product form. Applications to H3O2-.
Watch video | Download video: 201305020931-Meyer.mp4 (65M)
, New Mexico State University
- 10:25
Multilayer Multiconfiguration Time–Dependent Hartree Theory
Watch video | Download video: 201305021000-Wang.mp4 (73M)
, Emory University
- 11:28
MULTIMODE and n–mode strategies for vibrational dynamics in high dimensionality
Watch video | Download video: 201305021058-Bowman.mp4 (88M)
, University of Potsdam
- 12:00
Computing vibrational states of CO on metal substrates
Watch video | Download video: 201305021129-Tremblay.mp4 (78M)
, Aarhus University
- 19:32
Tensor decomposition and coupled cluster theory in the context of quantum molecular dynamics
Watch video | Download video: 201305021902-Christiansen.mp4 (73M)
, University of New Mexico
- 20:03
Potential energy surfaces and quantum reactive scattering
Watch video | Download video: 201305021933-Guo.mp4 (78M)
, National University of Singapore
- 20:36
Enabling Quantum dynamics with or without Potential Energy Surfaces by removing extra fitting
Watch video | Download video: 201305022004-Manzhos.mp4 (80M)
, Queen's University
- 21:02
Solving the Schrodinger equation using Smolyak interpolants
Watch video | Download video: 201305022036-Avilla.mp4 (88M)