Project description DEENESFRITPL Complex quantum molecular simulations of unprecedented speed and accuracy Computers and the rapid mathematical calculations they are able to perform, which would take human beings years to accomplish, have provided the fuel to power innovation. High-performance computing (HPC) and high-throughput computing (HTC) have enabled us to simulate large-scale complex processes and analyse tremendous amounts of data, benefitting applications ranging from climate research and drug discovery to material design. Emerging exascale computers will make the best even better, 50 times faster than today's most powerful supercomputers. The EU-funded TREX project is developing a platform that combines the upcoming exascale HPC and HTC architectures for stochastic quantum chemical simulations of unprecedented accuracy. The software and services will be designed for ease of use to ensure widespread utilisation, spurring a new age of discovery in molecular simulations. Show the project objective Hide the project objective Objective TREX is a highly integrated initiative that gathers most European leading scientists in quantum mechanical simulations of extreme accuracy in the framework of stochastic quantum Monte Carlo methods. This methodology represents one of the highest steps in precision in the ladder of electronic structure approaches and is uniquely positioned to fully exploit the massive parallelism of the upcoming exascale architectures. The marriage of this sophisticated approaches with exascale computing is bound to enable molecular simulations of unprecedented accuracy for complex scientific and industrial applications, meeting the growing demands for robust and predictive calculations in materials design. Thanks to co-design activities with leading high-performance computing (HPC) stakeholders, TREX will deliver a sophisticated product consisting of a user-friendly, high-performance software platform in the domain of stochastic quantum chemical simulations, which will enable the convergence of HPC and high throughput computing (HTC), and which will be made fully available to the computational community in academia and industry. Finally, TREX will work on show-cases to leverage quantum Monte Carlo methods for commercial applications as well as develop and implement software components and services that make it easier for commercial operators and user communities to use HPC resources for these applications. Fields of science natural sciencescomputer and information sciencessoftwarenatural sciencescomputer and information sciencescomputational scienceengineering and technologyelectrical engineering, electronic engineering, information engineeringelectronic engineeringcomputer hardwaresupercomputers Keywords Quantum chemistry materials science quantum Monte Carlo methods exascale performance optimization high-performance library Programme(s) H2020-EU.1.4. - EXCELLENT SCIENCE - Research Infrastructures Main Programme H2020-EU.1.4.1.3. - Development, deployment and operation of ICT-based e-infrastructures Topic(s) INFRAEDI-05-2020 - Centres of Excellence in exascale computing Call for proposal H2020-INFRAEDI-2018-2020 See other projects for this call Sub call H2020-INFRAEDI-2019-1 Funding Scheme RIA - Research and Innovation action Coordinator UNIVERSITEIT TWENTE Net EU contribution € 1 394 761,85 Address Drienerlolaan 5 7522 NB Enschede Netherlands See on map Region Oost-Nederland Overijssel Twente Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 Participants (18) Sort alphabetically Sort by Net EU contribution Expand all Collapse all CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS France Net EU contribution € 1 148 906,49 Address Rue michel ange 3 75794 Paris See on map Region Ile-de-France Ile-de-France Paris Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE Participation ended Italy Net EU contribution € 425 184,45 Address Via bonomea 265 34136 Trieste See on map Region Nord-Est Friuli-Venezia Giulia Trieste Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 CINECA CONSORZIO INTERUNIVERSITARIO Italy Net EU contribution € 245 000,00 Address Via magnanelli 6/3 40033 Casalecchio di reno bo See on map Region Nord-Est Emilia-Romagna Bologna Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 FORSCHUNGSZENTRUM JULICH GMBH Participation ended Germany Net EU contribution € 0,00 Address Wilhelm johnen strasse 52428 Julich See on map Region Nordrhein-Westfalen Köln Düren Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV Germany Net EU contribution € 296 750,00 Address Hofgartenstrasse 8 80539 Munchen See on map Region Bayern Oberbayern München, Kreisfreie Stadt Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 UNIVERSITE DE VERSAILLES SAINT-QUENTIN-EN-YVELINES. France Net EU contribution € 531 458,56 Address Avenue de paris 55 78035 Versailles See on map Region Ile-de-France Ile-de-France Yvelines Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 MEGWARE COMPUTER VERTRIEB UND SERVICE GMBH Germany Net EU contribution € 86 395,00 Address Nordstrasse 19 09247 Chemnitz 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 Sachsen Chemnitz Chemnitz 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 Other funding € 0,00 SLOVENSKA TECHNICKA UNIVERZITA V BRATISLAVE Participation ended Slovakia Net EU contribution € 4 192,71 Address Vazovova 5 81243 Bratislava See on map Region Slovensko Bratislavský kraj Bratislavský kraj Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 UNIVERSITAT WIEN Participation ended Austria Net EU contribution € 7 107,25 Address Universitatsring 1 1010 Wien See on map Region Ostösterreich Wien Wien Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 POLITECHNIKA LODZKA Poland Net EU contribution € 173 500,00 Address Ulica zeromskiego 116 90 924 Lodz See on map Region Makroregion centralny Łódzkie Miasto Łódź Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 TRUST-IT SRL Italy Net EU contribution € 139 125,00 Address Via francesco redi 10 56124 Pisa 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 Centro (IT) Toscana Pisa 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 Other funding € 0,00 Third-party Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure. COMMPLA SRL Italy Net EU contribution € 63 125,00 Address Via francesco redi 10 56124 Pisa 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 Centro (IT) Toscana Pisa 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 Other funding € 0,00 Third-party Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure. TRUST-IT SERVICES LIMITED Participation ended United Kingdom Net EU contribution € 0,00 Address Chase side 42 chase green house EN2 6NF Enfield 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 London Outer London — East and North East Enfield 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 Other funding € 0,00 KUNGLIGA TEKNISKA HOEGSKOLAN Participation ended Sweden Net EU contribution € 122 109,56 Address Brinellvagen 8 100 44 Stockholm See on map Region Östra Sverige Stockholm Stockholms län Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 FYZIKALNY USTAV SLOVENSKEJ AKADEMIE VIED Participation ended Slovakia Net EU contribution € 67 323,61 Address Dubravska cesta 9 845 11 Bratislava See on map Region Slovensko Bratislavský kraj Bratislavský kraj Activity type Research Organisations 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 Other funding € 0,00 UNIVERSITAT KONSTANZ Germany Net EU contribution € 191 212,98 Address Universitatsstrasse 10 78464 Konstanz See on map Region Baden-Württemberg Freiburg Konstanz Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00 USTAV INFORMATIKY SLOVENSKEJ AKADEMIE VIED, VEREJNA VYSKUMNA INSTITUCIA Slovakia Net EU contribution € 79 765,26 Address Dubravska cesta 9 845 07 Bratislava See on map Region Slovensko Bratislavský kraj Bratislavský kraj Activity type 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 Other funding € 0,00 LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY Luxembourg Net EU contribution € 22 929,78 Address 5 avenue des hauts fourneaux 4362 Esch sur alzette See on map Region Luxembourg Luxembourg Luxembourg Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Other funding € 0,00
