English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

A parallelized quantum dynamics package using the Smolyak algorithm forgeneral molecular simulation is introduced in this work. The program has nolimitation of the Hamiltonian form and provides high flexibility on thesimulation setup to adapt to different problems. Taking advantage of theSmolyak sparse grids formula, the simulation could be performed with highaccuracy, and in the meantime, impressive parallel efficiency. The capabilityof the simulation could be up to tens of degrees of freedom. The implementationof the algorithm and the package usage are introduced, followed by typicalexamples and code test results.

ElVibRot-MPI: parallel quantum dynamics with Smolyak algorithm for general molecular simulation