In this deliverable we will support the developer and theoretical team with time and knowledge management methods to reduce development time and increase efficiency. In this way, we can ensure that the user requirements are met in time.
Documentation of the licence In this deliverable we will provide a licence for all four use cases of the program including the one box academic usage, the cloud service usage, the SW only and the combined HW SW solution.
Documentation and method of measurements This deliverable will clearly show that our software has two orders of magnitude overall speedup compared to our competitors in terms of accuracy.
Documentation and method of measurements In this deliverable we will test the software in its working environment with the help of its early adopters. After this phase we can ensure that all constraints emerging from a typical workflow is eliminated.
Documentation In this deliverable we will provide a user manual which contains all the information for the users to use the program in every interface and use case.
Periodic and final reports D4.1.1 First annual periodic report (M12) D4.2.2. Second annual periodic report and final report (M29)
User guide documentation In this deliverable we will provide an interface with the widely used graphical chemical program Avogadro. The user should submit calculations through a graphical interface and visualize the results at the same place.
Patent, conference and journal publications, website documentation D.4.3.1 - Initial press release (M1) D.4.3.2 - Final press release (M29)
Autores: István Ladjánszki, Ádám Rák, Gergely Kis, Gábor János Tornai, Zhengting Gan and György Cserey
Publicado en: 2017
Editor: NVIDIA GPU Technology Conference
Autores: Tornai, Gabor Janos; Ladjanszki, Istvan; Rak, Adam; Kis, Gergely; Cserey, György
Publicado en: Journal of Chemical Theory and Computation, submitted to the journal, 2018, Page(s) submitted to the journal, ISSN 1549-9618
Editor: American Chemical Society