18–20 Sept 2023
Budapest
Europe/Budapest timezone

Novel approaches in material science and ab initio quantum chemistry via massively parallel tensor network state methods on Hybrid CPU-GPU based HPC architectures

20 Sept 2023, 10:00
20m
Star auditorium

Star auditorium

Speaker

Őrs Legeza (Wigner RCP)

Description

Tensor network states algorithms have proven to be a powerful tool for simulating strongly correlated spin and fermionic models. In this contribution, we overview recent developments that can be used for the treatment of high-dimensional optimization tasks used in many-body quantum physics with long range interactions, ab initio quantum chemistry and nuclear structure theory. We will also discuss the controlled manipulation of the entanglement, which is in fact the key ingredient of such methods, and which provides relevant information about correlations. Novel algorithmic solutions together with implementation details to extend current limits of TNS algorithms on HPC infrastructure building on state-of-the-art hardware and software technologies will also be addressed.

Presentation materials