Wolfgang Pauli Institute (WPI) Vienna |
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| Henrik R. Larsson | HS 11 Fak. Math. OMP1, Uni Wien | Tue, 18. Jul 23, 14:00 |
| Introduction to MCTDH and Tensor Network States | ||
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| Uwe Manthe | HS 11 Fak. Math. OMP1, Uni Wien | Tue, 18. Jul 23, 14:45 |
| Developments in the non-hierarchical multi-layer MCTDH approach | ||
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| Benedikt Kloss | HS 11 Fak. Math. OMP1, Uni Wien | Tue, 18. Jul 23, 16:45 |
| Subspace expansions: Schemes to dynamically adapt the approximation rank or bond dimension | ||
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| Nina Glaser | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 9:15 |
| Large-scale anharmonic vibrational calculations with the DMRG algorithm | ||
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| Uli Schollwöck | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 12:00 |
| Dynamics of singlet fission in covalently linked tetracene dimers using tensor network states | ||
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| Irene Burghardt | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 14:00 |
| Multiconfigurational quantum dynamics with multiplicative neural network potentials | ||
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| Daniel Pelaez | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 14:45 |
| Towards high-dimensional analytical sum-of-products representations | ||
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| Markus Schröder | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 16:00 |
| Compact representation of operators in sum-of-products form | ||
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| Sudip Sasmal | HS 11 Fak. Math. OMP1, Uni Wien | Wed, 19. Jul 23, 16:45 |
| Compact sum-of-products form of the molecular electronic Hamiltonian and its application within the MCTDH method | ||
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| Roman Ellerbrock | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 9:15 |
| Quantum Circuit simulations with Tree Tensor Network States | ||
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| Haobin Wang | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 10:00 |
| ML-MCTDH simulation in the interaction picture | ||
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| Tucker Carrington | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 11:15 |
| Obviating the need for as many points as basis functions when using collocation with MCTDH to do efficient and accurate quantum dynamics on a general PES | ||
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| Micheline Soley | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 14:00 |
| Tensor Trains and Quantum Computing for Highly Multidimensional Molecular Simulations | ||
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| Örs Legeza | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 14:45 |
| Simulation of long time and Lindbladian evolution via massively parallel hybrid CPU-GPU based tensor network state algorithms | ||
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| Graham Worth | HS 11 Fak. Math. OMP1, Uni Wien | Thu, 20. Jul 23, 16:00 |
| New Applications Using ML-MCTDH: Gaussian basis sets and Density Matrices | ||
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| David Mendive-Tapia | HS 11 Fak. Math. OMP1, Uni Wien | Fri, 21. Jul 23, 9:15 |
| Finding optimal multi-layer trees through graph theory | ||
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| Jiajun Ren: | HS 11 Fak. Math. OMP1, Uni Wien | Fri, 21. Jul 23, 10:00 |
| Tensor Network Methods for Electron-Phonon Problems | ||
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| Eric Fischer | HS 11 Fak. Math. OMP1, Uni Wien | Fri, 21. Jul 23, 11:15 |
| How Chemistry and Physics Meet in Optical Infrared Cavities: Application of the MCTDH Method to Vibrational Strong Coupling Models | ||
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| Ofir Alon | HS 11 Fak. Math. OMP1, Uni Wien | Fri, 21. Jul 23, 14:00 |
| How accurate the MCTDHB wavefunction is: Lessons from numerics, analytics, and examples | ||
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| Peter Schmelcher | HS 11 Fak. Math. OMP1, Uni Wien | Fri, 21. Jul 23, 14:15 |
| Impurities in highly imbalanced ultracold mixtures: Controlled transport and counterflow dynamics | ||
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| Sergio Blanes | WPI, OMP 1, Seminar Room 08.135 | Mon, 26. Feb 24, 10:00 |
| Splitting methods with complex coefficients for the numerical integration of quantum systems | ||
The evolution of most quantum systems is modeled by differential equation in the complex space. However, in general, the equations are numerically solved using integrators with real coefficients. To consider complex coefficients usually does not make the schemes computationally more costly and can provide more accurate results. In this talk, we explore the applicability of splitting methods involving complex coefficients to solve numerically the time-dependent Schrödinger equation. There are pros (high accuracy and not to increase the cost) and cons (instability and loose of qualitative properties) when using complex coefficients. However, there is a class of methods with complex coefficients with a particular symmetry that keep most pros while avoid most cons. This class of integrators are stable and are conjugate to unitary methods for sufficiently small step sizes. These are promising methods that we will explore: we build new methods and we analyse their performance on several examples. This is joint work with Joakim Bernier, Fernando Casas and Alejandro Escorihuela. | ||
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| Fernando Casas | WPI, OMP 1, Seminar Room 08.135 | Tue, 27. Feb 24, 10:00 |
| Symmetric-conjugate splitting methods for evolution equations of parabolic type | ||
In this talk I will provide a short introduction to a class of operator splitting methods with complex coefficients which possess a special symmetry, the so-called symmetric-conjugate methods, and analyze their application for the time integration of linear evolution problems. Including complex coefficients with non-negative real parts permits the design of favorable high-order schemes that remain stable in the context of parabolic problems. This sets aside the second-order barrier for standard splitting methods with real coefficients as well as the fourth-order barrier for modified splitting methods involving double commutators. Relevant applications include nonreversible systems and ground state computations for Schr{\"o}dinger equations based on the imaginary time propagation method. | ||
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