Program

 (preliminary)

Thursday July 13

08:30 - 09:00 Arrival
09:00 - 10:30 Lecture Markus Schröder
Numerical methods for quantum dynamics
  • Wavefunction representation (FBR/DVR etc.)
  • Operator representation
  • Lanczos and Davidson integrators
10:30 - 11:00 Coffee break
11:00 - 12:30 Lecture Hans-Dieter Meyer
MCTDH Theory I
  • From the standard method to MCTDH and ML
  • Derivation of the equations of motion
  • Operator representation in sum-of-products
12:30 - 14:00 Lunch break
14:00 - 15:30 Lab David Mendive-Tapia, Hans-Dieter Meyer, Markus Schröder
Installing the Heidelberg MCTDH package
  • Basic install
  • Linking to external libraries (e.g. optimized LAPACK)
  • Parallelization: Pthreads, OpenMP, MPI
15:30 - 16:00 Coffee break
16:00 - 17:30 Lab David Mendive-Tapia, Hans-Dieter Meyer, Markus Schröder
Selected problems with MCTDH I

Friday July 14

09:00 - 10:30 Lecture Hans-Dieter Meyer
MCTDH Theory II
  • Solving the MCTDH equations of motion
  • Computing eigenstates
  • Including temperature
10:30 - 11:00 Coffee break
11:00 - 11:45 Lecture Oriol Vendrell
Wavefunction analysis
  • Correlation functions & spectra
  • Flux analysis
  • Densities, projectors, expectation values, etc.
11:45 - 12:30 Lecture Haobin Wang
Dynamics of open quantum systems and second quantization representation with MCTDH
12:30 - 14:00 Lunch break
14:00 - 15:30 Lab David Mendive-Tapia, Hans-Dieter Meyer, Markus Schröder
Selected problems with MCTDH II
15:30 Free afternoon

Saturday July 15

09:00 - 09:45 Lecture Fabien Gatti
Introduction to polyspherical coordinates
09:45 - 10:30 Lecture David Mendive-Tapia
Mode combination and multilayer tree generation
10:30 - 11:00 Coffee break
11:00 - 12:30 Lecture Markus Schröder
Potential energy operators in sum-of-products form
  • Tucker decomposition ("Potfit")
  • Canonical decomposition
12:30 - 14:00 Lunch break
14:00 - 14:45 Lab David Mendive-Tapia
Mode-combination and multilayer tree generation
14:45 - 15:30 Lab Markus Schröder
Potential re-fitting to sum-of-products form
15:30 - 16:00 Coffee break
16:00 - 16:45 Lecture Sudip Sasmal
Second quantization representation in MCTDH
16:45 - 17:30 Lab Sudip Sasmal
Second quantization representation in MCTDH

Sunday July 16

09:00 - 10:30 Lecture Paolo Molignini, TBA
MCTDH-X lecture I
10:30 - 11:00 Coffee break
11:00 - 12:30 Lecture Paolo Molignini, TBA
MCTDH-X lecture II
12:30 - 14:00 Lunch break
14:00 - 15:30 Lab Paolo Molignini, TBA
MCTDH-X lab I
15:30 - 16:00 Coffee break
16:00 - 17:30 Lab Paolo Molignini, TBA
MCTDH-X lab II

Monday July 17

08:30 - 10:00 Lecture Henrik R. Larsson
Density matrix renormalization group (DMRG) through the lens of MCTDH
  • Tensor network states and diagrammatic language
  • DMRG algorithms for eigenstates and time propagation
  • Selected examples and comparisons to ML-MCTDH
10:00 - 10:30 Coffee break
10:30 - 12:00 Lecture Alberto Baiardi
The Density Matrix Renormalization Group Method: from strongly-correlated electronic problems to quantum dynamics
  • Introduction to the Density Matrix Renormalization Group (DMRG) theory.
  • Challenges in DMRG-based electronic-structure calculations.
  • DMRG-based methods for simulating time-dependent processes.
12:00 Departure