Objective In the 2000s, the application of quantum chemistry became available to various industries due to the successful findings resulting from years of research. Nowadays several pharmaceuticals are using quantum chemical methods to develop medicine molecules by replacing difficult and expensive tests with simulation techniques, therefore making the development process more efficient, faster and more cost-effective.Quantum chemical methods require a huge computational demand, which is the biggest difficulty of its spread. According to the latest trend of computer studies the solution for the quantum chemistry calculations is the multi processor Graphic Processing Unit - GPU, which requires special programming models’ adaptation.The aim of the project is the establishment of a GPU-optimized Gauss based, efficient, parallel quantum chemical integrator module, which could solve one of the speed limitation of quantum chemistry calculations, the calculation of integrals.With our revolutionary product new R&D fields can be available, moreover pharmaceutical and manufacturing companies could significantly reduce the required time of the market launch, saving hundreds of millions of Euros, helping chemists find the perfect candidate with the perfect features and reducing the chance of molecules’ failing during further phases of thedevelopment. Currently, there is no computer software which has the required capacity.The complete software will be available as a licensed module for companies, which are seeking general quantum chemical software. With this module they are going to be able to execute specific calculations (e.g.: SCF, DFT, (RI)-MP2, CC, etc.) more efficiently than their competitors. Fields of science medical and health sciencesbasic medicinepharmacology and pharmacydrug discoveryengineering and technologyelectrical engineering, electronic engineering, information engineeringelectronic engineeringcomputer hardwarecomputer processorsnatural sciencescomputer and information sciencessoftwaresoftware applicationssystem softwarenatural scienceschemical sciencesphysical chemistryquantum chemistrynatural sciencescomputer and information sciencessoftwaresoftware applicationssimulation software Programme(s) H2020-EU.2.1.1. - INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT) Main Programme H2020-EU.2.3.1. - Mainstreaming SME support, especially through a dedicated instrument Topic(s) SMEInst-01-2016-2017 - Open Disruptive Innovation Scheme Call for proposal H2020-SMEInst-2016-2017 See other projects for this call Sub call H2020-SMEINST-2-2016-2017 Funding Scheme SME-2 - SME instrument phase 2 Coordinator STREAMNOVATION SZOFTVERFEJLESZTO KFT Net EU contribution € 985 425,00 Address PRATER UTCA 50/A 1083 BUDAPEST Hungary See on map SME The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed. Yes Region Közép-Magyarország Budapest Budapest Activity type Private for-profit entities (excluding Higher or Secondary Education Establishments) Links Contact the organisation Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 1 418 125,00
