Mathematical Methods in Quantum Molecular Dynamics
Videos from BIRS Workshop
Raymond Kapral, University of Toronto
Monday Apr 29, 2013 09:04 - 09:29
Nonadiabatic Dynamics in Open Quantum–Classical Systems
Christian Lubich, Univ. Tübingen
Monday Apr 29, 2013 09:30 - 10:01
On the MCTDH method
Christian Lubich, Univ. Tübingen
Monday Apr 29, 2013 09:30 - 10:01
On the MCTDH method
Stefan Teufel, Universitaet Tuebingen
Monday Apr 29, 2013 11:00 - 11:34
Spontaneous decay of resonant energy levels for molecules with moving nuclei
Michael Griebel, Universitaet Bonn
Monday Apr 29, 2013 15:30 - 16:03
On the ANOVA decomposition of high–dimensional functions with applications to chemistry
Irene Burghardt, University of Frankfurt
Monday Apr 29, 2013 16:04 - 16:32
Multiconfiguration time–dependent Hartree with variational Gaussian wavepackets: flexible frozen Gaussian–based representations using two (and more) layers
Uwe Manthe, Bielefeld University
Tuesday Apr 30, 2013 08:59 - 09:25
Multi–layered wavefunction representations and quadratures: the multi–configurational time–depen- dent Hartree approach
Caroline Lasser, Technische Universitaet Muenchen
Tuesday Apr 30, 2013 09:25 - 09:57
Semiclassical approximations for quantum molecular dynamics: a computational point of view
Shi Jin, Shanghai Jiao Tong University
Tuesday Apr 30, 2013 11:00 - 11:21
Semi–classical models for the Schrödinger equation with periodic potentials and band–crossings
Tucker Carrington, Queen's University
Tuesday Apr 30, 2013 11:21 - 11:56
Using Smolyak grids and bases pruned to include strongly coupled basis functions to solve the vibrational Schroedinger equation in 12–d
Anne Mccoy, The Ohio State University
Tuesday Apr 30, 2013 14:00 - 14:26
Diffusion Monte Carlo Approaches for studying rotational and vibrational motions of highly anharmonic systems
Clotilde Fermanian Kammerer, Université Paris-Est Créteil
Tuesday Apr 30, 2013 14:27 - 15:02
Single switch algorithm for molecular dynamics
David Lauvergnat, University of Paris-Sud
Tuesday Apr 30, 2013 15:29 - 15:56
Quantum dynamics with sparse grid: a combination of Smolyak scheme and cubature
George Hagedorn , Virginia Tech University
Tuesday Apr 30, 2013 15:56 - 16:23
Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse
Pierre-Nicholas Roy, University of Waterloo
Tuesday Apr 30, 2013 16:23 - 16:55
Dynamics of quantum rotors in complex environments
Bill Poirier, Texas Tech University
Wednesday May 1, 2013 09:02 - 09:30
Exact Quantum Dynamics Calculations using Phase Space Wavelets
William H. Miller, University of California, Berkeley
Wednesday May 1, 2013 09:31 - 09:59
Using the Initial Value Representation of Semiclassical Theory to Add Quantum Effects to Classical Molecular Dynamics Simulations
Reinhold Schneider, Technische Universitat Berlin (Germany)
Wednesday May 1, 2013 10:00 - 10:30
Approximation of the electronic Schr ̈odinger equation by low rank approximation in novel tensor formats
Edward Valeev, Virginia Tech
Wednesday May 1, 2013 11:01 - 11:35
Multiresolution spectral–element representations of electronic wave functions
Gianluca Panati, Sapienza Universita di Roma
Wednesday May 1, 2013 11:36 - 12:05
Topological invariants of eigenvalue intersections and decrease of Wannier functions
Dmitry Shalashilin, University of Leeds
Wednesday May 1, 2013 19:00 - 19:29
Basis sets of trajectory guided Gaussians for efficient and accurate multidimensional quantum dy- namics
Graham Worth, University of Birmingham
Wednesday May 1, 2013 19:30 - 19:56
Using time–dependent Gaussian basis sets in quantum dynamics simulations
Yimin Wang, Emory University
Wednesday May 1, 2013 19:57 - 20:28
Exact 6d quantum vibrational calculation of three isomers of H2CO using a new accurate ab initio potential energy surface
Alain Joye, Institut Fourier, Université Grenoble 1
Thursday May 2, 2013 09:02 - 09:31
Emergence of exponentially accurate reflected or tunneling semiclassical wave packets
Hans-Dieter Meyer, University of Heidelberg
Thursday May 2, 2013 09:31 - 09:59
POTFIT and Multigrid POTFIT. Transforming general multi-potential energy surfaces to product form. Applications to H3O2-.
Haobin Wang, New Mexico State University
Thursday May 2, 2013 10:00 - 10:25
Multilayer Multiconfiguration Time–Dependent Hartree Theory
Joel Bowman, Emory University
Thursday May 2, 2013 10:58 - 11:28
MULTIMODE and n–mode strategies for vibrational dynamics in high dimensionality
Jean Christophe Tremblay, University of Potsdam
Thursday May 2, 2013 11:29 - 12:00
Computing vibrational states of CO on metal substrates
Ove Christiansen, Aarhus University
Thursday May 2, 2013 19:02 - 19:32
Tensor decomposition and coupled cluster theory in the context of quantum molecular dynamics
Hua Guo, University of New Mexico
Thursday May 2, 2013 19:33 - 20:03
Potential energy surfaces and quantum reactive scattering
Sergei Manzhos, Tokyo Institute of Technology
Thursday May 2, 2013 20:04 - 20:36
Enabling Quantum dynamics with or without Potential Energy Surfaces by removing extra fitting
Gustavo Avilla, Queen's University
Thursday May 2, 2013 20:36 - 21:02
Solving the Schrodinger equation using Smolyak interpolants
