Скачать с ютуб Targeting chemical accuracy with quantum Monte Carlo on LUMI - Day 3 в хорошем качестве

Targeting chemical accuracy with quantum Monte Carlo on LUMI - Day 3

The workshop was held online 26, 27, 30, 31 of January 2023. The training material can be found here https://trex-coe.github.io/school-ncc... Quantum mechanical simulations play an important role in scientific and industrial applications, where understanding at the atomistic and electronic level is needed. In this context, quantum Monte Carlo methods are first-principle electronic structure approaches that provide a stochastic solution to the Schrödinger equation and are placed at the high end in the accuracy ladder of electronic structure methods, representing a powerful tool when conventional techniques such as density functional are not reliable. Furthermore, quantum Monte Carlo methods are among the few approaches in the field of quantum simulations that can fully exploit the potential of upcoming exascale supercomputers. This workshop provided a comprehensive introduction to QMC methods and their practical application in molecular systems with the combined use of Quantum Package and the quantum Monte Carlo CHAMP code developed in the context of European Commission-funded TREX CoE. ------------------ ENCCS is based in Sweden and provides free training and support for accessing and using European supercomputers. If you are a company or public authority based in Sweden interested in running your software or code on large European supercomputers please visit https://enccs.se or contact us at [email protected]. Are you located in a European country or an associated country? Contact your local competence centre to get help and advice. For more information on the competence centres please follow this link https://www.eurocc-access.eu. More information on EuroHPC JU systems you can find by following this link https://eurohpc-ju.europa.eu/about/ou... You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-an...