Website of the 2023 MCTDH summer school | Current MCTDH summer School

Program

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 algorithms
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
17:30 - 18:30 Free time
18:30 Conference dinner at IWH

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 - 09:30 Lecture Elke Fasshauer
MCTDH for indistinguishable particles
09:30 - 10:00 Lecture Sunayana Dutta
MCTDH-X in a nutshell
10:00 - 10:30 Lab Elke Fasshauer, Sunayana Dutta, Paolo Molignini
Ground-state physics for bosons and fermions
10:30 - 11:00 Coffee break
11:00 - 11:30 Lab Elke Fasshauer, Sunayana Dutta, Paolo Molignini
Ground-state physics for bosons and fermions
11:30 - 12:30 Lab Elke Fasshauer, Sunayana Dutta, Paolo Molignini
Dynamics for bosons and fermions
12:30 - 14:00 Lunch break
14:00 - 15:30 Lab Elke Fasshauer, Sunayana Dutta, Paolo Molignini
Dynamics for bosons and fermions
15:30 - 16:00 Coffee break
16:00 - 17:00 Lab Elke Fasshauer, Sunayana Dutta, Paolo Molignini
Q&A, free code exploration
17:00 - 17:30 Lecture Paolo Molignini
Outlook: new frontiers with MCTDH-X

Monday July 17

09:00 - 10:30 Lecture Henrik R. Larsson
Density matrix renormalization group (DMRG) through the lens of MCTDH I
  • Tensor network states and diagrammatic language
  • DMRG algorithms for eigenstates and time propagation
10:30 - 11:00 Coffee break
11:00 - 12:00 Lecture Henrik R. Larsson
Density matrix renormalization group (DMRG) through the lens of MCTDH II
  • DMRG for electronic structure
  • Selected examples and comparisons to ML-MCTDH
12:00 Departure