| Fraunhofer Gesellschaft zur Foerderung der angewandten Forschung e.V. (IFAM)The Fraunhofer-Gesellschaft (FhG) is a non-profit and the leading organization for applied research in Europe. Founded in 1949, the FhG currently comprises 69 Fraunhofer-Institutes with nearly 25.000 employees at 40 different locations in Germany as well as research centers and representative offices in Europe, USA and Asia. The FhG undertakes applied research in future-oriented projects with the aim of finding innovative solutions to issues concerning the industrial economy and society in general. The Fraunhofer-Institute for Manufacturing Technology and Advanced Materials (IFAM) is the largest independent research facility in Europe in the area of industrial adhesive bonding technology. The Fraunhofer IFAM division “Adhesive Bonding Technology and Surfaces” performing R&D on multifunctional coatings, paints, polymer chemistry, nanoparticle applications, plasma and lacquer technology as well as on adhesive bonding and surface technologies with the goal to develop application-oriented system solutions for industry. The R&D work is directed at a variety of industrial sectors including car, rail vehicle, ship and aircraft manufacturing industries, machinery and plant construction, energy technology, construction sector, electronics industry, microsystem engineering, and medical technology. |
| Goldbeck Consulting Limited (GCL)Goldbeck Consulting Limited (GCL) is an SME based in Cambridge, United Kingdom, providing innovation consulting services in the field of materials modelling and informatics. Services include translation, training and coaching for the use of materials modelling in industrial R&D, impact analysis, exploitation and commercialisation, product management, marketing and business development for science and engineering software. |
| Politecnico Di Torino (POLITO)The Regio Politecnico di Torino (Royal Turin Polytechnic) was founded as institution in 1906, but its origins go back further. It was preceded by the Scuola di Applicazione per gli Ingegneri (Technical School for Engineers) founded in 1859 after the Casati Act, and by the Museo Industriale Italiano (Italian Industry Museum) founded in 1862 under the aegis of the Italian Ministry of Agriculture, Trade and Industry. In November 1958 the big complex in Corso Duca degli Abruzzi was opened and it expanded thanks to the enlargement of the Cittadella Politecnica, a campus where classrooms, laboratories, education, research, and services to the town coexist. Two Departements are involved in the project: DISAT and DENER. The Department of APPLIED SCIENCE AND TECHNOLOGY (DISAT) focuses on research and education involving the fundamental principles of matter and energy, their transformation and related engineering applications. It does so throughout a wide and complementary range of disciplines: physics of condensed matter and fundamental interactions, nanotechnology, chemistry, materials science, metallurgy, actively pursuing chemical, physical, materials and food engineering spanning from the conception of new processes, to the development of new chemical reactors and process units by modelling and experimental tools, from the optimisation of control strategies and devices to the design of pilot and industrial-scale plants. The Department of ENERGY (DENERG) is the point of reference in Politecnico di Torino for the areas of knowledge concerned with energy and sustainable development. The Department has the aim of improving the existing energy technologies and promoting new ones, as well as contributing to the rational and informed use of energy resources. DENERG promotes, coordinates and manages basic and applied research, training, technology transfer and services to the local community and industry in the fields of thermodynamics and thermo-fluid dynamics, fluid machines, energy systems, combustion, physics of nuclear reactors and plasmas, nuclear plants, principles of electrical engineering, electrical machines, electrical drives and power electronics, electrical power systems, thermophysical and electromagnetic properties of materials, indoor environment engineering, lighting, and acoustics. |
| The University of Manchester (UoM)The University of Manchester (UoM) Manchester University (UoM) is ranked 35th in the world according to the Shanghai Jiao Tong university rankings (2016) and the School of Chemical Engineering and Analytical Science (CEAS) where this research will be carried out are ranked 22nd by the QS World University Rankings by Subject (2016). UoM is also a member of the Russell group. UoM engages in partnership with businesses such as Siemens, Unilever and BP and with the public sector through RCUK, Wellcome Trust, Health and Social Care Trusts. UoM holds an Athena SWAN institutional Bronze award and CEAS holds a silver award in recognition of its effort to advance the representation of women in science, engineering and technology and to address gender inequalities. The multi-scale modelling group in CEAS is formed by 8 academics, with a total of ca. 45 group members including PhD, PDRAs and visitors. The group expertise stretches across time and length scales from femto-seconds/Angstroms (atomistic and quantum modelling) to seconds/meters (continuous mechanics). The group research is funded by Research Councils (EPSRC, BBSRC, NERC, Leverhulme Trust, Nuclear National Laboratory) Horizon 2020 and supported by various industrial partners (Unilever, BP, Sellafield, Astra Zeneca, AkzoNobel, Continental) with a research output of 170 peer reviewed publications since 2012. The group is internationally known also for the organization of various national and international conferences and summer schools (Multiscale Modelling Conferences, the CCP5 Summer Schools, Thermodynamics 2013, Nanoformulation 2013). |
| Universita Degli Studi Di Napoli Federico II. (UNINA)The University of Naples Federico II was established in 1224 through an Imperial Charter of Frederick II Hohenstaufen, King of Sicily and Holy Roman Emperor. It was the first publicly funded university in Europe. Nowadays the university offers courses in essentially all academic disciplines, leading to one hundred fifty five graduate level degrees. Research facilities provide support to all these courses. Students are given the opportunity to pursue intellectual development as well as the acquisition of professional skills. Current student enrollment nears 86,000 and the academic personnel, at this time, is 2532. The university is made up of three Schools – the Polytechnic and Basic Sciences School, the School of Medicine and the School of Human and Social Sciences – and 26 Departments which operate as semi-independent bodies for the teaching and research management being anyway part of a School. In addition, the University of Naples Federico II includes a cluster of fourteen highly specialised Museums, covering a wide range of fields, and two botanical gardens hosting unique species. |
| Ecole Polytechnique Federale de Lausanne (EPFL-CECAM)The “École Polytechnique Fédérale de Lausanne” (EPFL) is one of the two Swiss Federal Polytechnical Schools. A multi-cultural institution at the cutting edge of science and technology, EPFL fosters innovation and excellence. EPFL has a unique organisation that stimulates interdisciplinary research and fosters partnerships with other institutions and companies, with both theoretical and applied research being carried out. Ecole Polytechnique Fédérale de Lausanne is a higher education and research organisation with about 4’500 employees, 10’000 students, and a total annual budget of approximately 900 million Euros. EPFL has participated and is currently taking part in a very large number of EU projects and initiatives, in a wide variety of scientific and technological field. With more than 330 laboratories and research groups on campus, EPFL is one of the Europe’s most innovative and productive technology institutes and is also renowned for the quality of its teaching and training programs. The EPFL also is headquarters of CECAM (Centre Européen de Calcul Atomique and Moleculaire). This long-standing, European organisation moved to Lausanne in 2008. It is devoted to the promotion of fundamental research on advanced computational methods and to their application to important problems in frontier areas of science and technology. Currently, its main task is organisation and delivery of approximately 70 workshops a year across Europe. Research activities at CH focus on meso and multi-scale simulations and on quantum dynamics. CH’s role and activities are directly relevant to this proposal. |
| Ustav Chemickych Procesu AV CR, v. v. i. (ICPF)Ustav Chemickych Procesu AV CR, v. v. i. (Institute of Chemical Process Fundamentals) is one of the six institutes constituting the Section of Chemical Sciences of the Czech Academy of Sciences. The Institute functions as a centre for advanced research in chemical, biochemical, catalytic and environmental engineering and it acts as a graduate school for PhD studies in the fields of chemical engineering, physical chemistry, industrial chemistry, and biotechnology. ICPF’s activities in the field of particle-based modelling include atomistic and mesoscopic simulations of complex fluid systems in the bulk and confinement. |
| Electricite de France (EDF)Electricity de France S.A. (EDF) is a French electric utility company. EDF is the world’s largest producer of electricity and specialises in electricity, from engineering to distribution. The company operations include: electricity generation and distribution; power plant design, construction and dismantling; energy trading; and transport. It is active in such power generation technologies as nuclear power, hydropower, marine energies, wind power, solar energy, biomass, geothermal energy and fossil-fired energy. Within the Research & Development Division of EDF, the department of Fluid Dynamics, Power Generation and Environment (MFEE) provides the EDF group with expertise in fluid mechanics, heat transfer, energy systems, atmospheric physics and meteorology. The department is mainly focused on the following missions: providing expertise in physical and numerical modelling in the field of fluid mechanics, application to the assessment of the stresses and thermal changes undergone by industrial components; observation and measurement of industrial and atmospheric discharges; adaptation of meteorological and climate tools to the needs of the electrical generation, transport, distribution and marketing sectors; evaluation of new technologies for the mass production and storage of energy. Also within the R&D division of EDF, the department PERICLES is a pole of expertise in nuclear physics for the operating performance and safety of reactors, together with the software engineering required for the design and development of numerical simulation solutions, and IT associated systems. |
| CULGI BV (CULGI)Culgi is an international scientific consulting company in the area of chemical informatics and modelling in materials and life sciences. It provides scientific support and modelling tools to world’s leading companies from diverse industries such as chemicals, pharmaceuticals, petroleum, and polymers. Culgi employs computational scientists, physical chemists, and software engineers to develop and distribute the Culgi molecular modelling library (with scientific support and consulting through an international network of application scientists and resellers in Europe, USA and Asia). Culgi offers a suite of modelling and simulation algorithms from both thermodynamics and informatics, within a unique common interface. The molecular modelling library includes, besides all well-established simulation and chemical informatics methodologies, general purpose multiscale techniques and it is designed for a range of users from the laboratory chemist to the experienced numerical modeller. Besides the software library Culgi provides consultancy services and training to industrial R&D. |
| Straetmans High TAC GmbH (HighTAC)The company Straetmans High TAC GmbH was founded at the 29th December 2003. We are a spin-off of our mother company Dr. Straetmans GmbH which was founded over 40 years ago by Dr. Udo Straetmans. The mother company is today only producing cosmetic raw materials (focus on preservation). Recently it was sold to Evonik. The HighTAC is also producing preservatives, but for the metal working fluid industry. This may explain the name HighTAC as we are producing, developing and selling Technical Additives & Chemicals. For the biocide registrations we found a strong support in LANXESS. The second market and product range is the paint & coating industry where we are supplying organic and liquid corrosion inhibitors. The challenging aspects in this market are to have very outstanding performing additives. These products are preferably polymers used in paints and coatings as flash rust inhibitors to protect the metal surfaces from corrosion during the drying step or long-term inhibitors, which are improving the resistance of the coating itself. It was found that especially polymers are fulfilling this task. The first polymers which we developed together with Fraunhofer IFAM. Our various corrosion inhibitor additives are today used in many types of coatings for railway, agriculture, automotive, aerospace, wood, wall, roof and metal pigment effect coatings. |
| OSTHUS GmbH (OSTHUS)OSTHUS is a multinational data consultancy and leading systems integrator and brings innovative scientific informatics applications to many of the world’s largest pharmaceutical, Crop Sciences and Life Sciences companies. With teams of unique interdisciplinary experts, we help our clients solve new kinds of global data-driven challenges in Pharma and Life Sciences. OSTHUS was founded in 1996, is headquartered in Aachen, Germany and operates from multiple sites in Europe, the US and Asia. |
| UKRI Science and Technology Facilities Council (UKRI STFC)The Science and Technology Facilities Council is one of the UK’s publicly funded bodies, within the UK Research and Innovation. It responsible for supporting, coordinating and promoting research, innovation and skills development in the areas of Astronomy, Nuclear & Particle Physics, Particle Astrophysics and Scientific Computing. In addition to providing and developing large scale national science facilities, such as the ISIS Neutron Source, Diamond Light Source and the Central Laser Facility, STFC also manages subscriptions to large international collaborations on behalf of the UK government. The Scientific Computing Department (SCD) has over 40 years’ experience in the design, implementation and development of world leading scientific software. It is internationally recognised as a centre for parallelisation, optimisation and porting of existing software to leading edge and novel architecture systems. In addition to domain expertise in a wide range of disciplines, the Department also has strong software engineering and numerical algorithms expertise, particularly employed in the development of large-scale scientific software applications used for the UK’s Collaborative Computational Projects and High-End Computing consortia. SCD offers a range of services including collaborative software development and access to a range of novel high-performance computing platforms via the Hartree Centre. |
| CONTINENTAL Reifen Deutschland GmbH (CONTI)Founded in Hanover, Germany, in 1871, Continental is among the leading automotive suppliers worldwide and currently has approximately 220,000 employees in 56 countries. The Tire Division currently has 75 production and development locations worldwide. The broad product range and continuous investments in R&D make a major contribution to cost-effective and ecologically efficient mobility. In spite of their technological importance, the relation between the composition, preparation, microscopic structure and macroscopic elastic properties of rubber materials is still not well understood. During the last years, Continental aiming to enhance its fundamental understanding of industrial rubber materials by using computational modelling. |
| Unilever U.K. Central Resources Limited (UNILEVER)Unilever is a global, fast-moving consumer goods (FMCG) company, with an annual turnover (in 2015) of €53.3BN. We make many of the world’s favourite brands, including the personal care brands AXE, Rexona, Sunsilk and Dove; home-care brands such as Lux, Omo and Surf, and food and drink brands, such as Knorr, Rama, Magnum, Wall’s, Hellmann’s and Lipton. Our corporate purpose is to make sustainable living commonplace, through sustainably sourced raw materials, supporting equal opportunities and sustainable livelihoods and working to give access to water sanitation and hygiene for all; protecting the planet for future generations. Our vision is to grow our business whilst reducing our environmental footprint and increasing our positive social impact. Unilever invests more than €1BN annually in R&D, with more than 6000 R&D professionals located around the globe in 6 key R&D sites (Vlaardingen, Port Sunlight, Colworth House, Shanghai, Trumbull and Bangalore) as well as 90 other R&D locations. We have a portfolio of more than 20000 patents and patent applications, and file more than 300 patent applications each year. Unilever scientists published more than 240 articles in scientific journals in 2015. |
| IBM United Kingdom LTD (IBM UK)IBM Research is one of the world’s largest and most influential corporate research labs, with more than 3,000 researchers in 12 labs located across six continents. In 2012, the UK government in collaboration with IBM founded the Hartree Centre: a high performance computing and data analytics research facility. The centre is part of the Science and Technology Facilities Council, one of seven UK Research Councils, and is based at Daresbury Laboratory on the Sci-Tech Daresbury science and innovation campus in Cheshire, UK. The IBM Research team at Daresbury consists of a group of approximately 25 applications scientists working on industrial applications of Datacentric, cognitive HPC and middle-ware specialists. The IBM/Hartree team work with IBM Research labs in Dublin, Zurich, Yorktown Heights and around the world to develop new tools, algorithms and approaches to Big Data and cognitive systems, with initial areas of collaboration to include molecular modelling, DNA sequencing, uncertainty modelling and the Internet of Things. |
| INSTITUT NATIONAL DE RECHERCHE EN INFORMATIQUE ET AUTOMATIQUE (INRIA)INRIA, the French National research Institute for computer science and applied mathematics, promotes “scientific excellence for technology transfer and society”. Graduates from the world’s top universities, Inria’s 2,600 employees rise to the challenges of digital sciences and applied mathematics. Research at Inria is organised in “project teams” which bring together researchers with complementary skills to focus on specific scientific projects. With this open, agile model, Inria is able to explore original approaches with its partners in industry and academia and provide an efficient response to the multidisciplinary and application challenges of the digital transformation. The source of many innovations that add value and create jobs, Inria transfers expertise and research results to companies (startups, SMEs and major groups) in fields as diverse as healthcare, transport, energy, communications, security and privacy protection, smart cities and the factory of the future. The INRIA research centre Sophia Antipolis-Méditerranée which, with 37 teams, approximately 400 scientists, 2 members of the French Academy of Sciences, 3 ERC advanced grants, and 2 ERC starting grants, has a strong regional impact and international visibility. The INRIA research group TOSCA is recognized worldwide for its significant contributions to numerical probability, stochastic modelling, and stochastic analysis. The 7 permanent team members together with the non-permanent members belong to two INRIA research centres: Sophia Antipolis and Nancy. |
| IBM RESEARCH GMBH (IBM CH)IBM Research GmbH, (IBM Research – Zurich), with approximately 300 employees, is a wholly owned subsidiary of the IBM Research division with headquarters at the T.J. Watson Research Center in Yorktown Heights, NY, USA. IBM Research – Zurich, which was established in 1956, represents the European branch of IBM Research. At the lab, scientific and industrial research is conducted in three scientific and technical departments: Cloud & Computing Infrastructure, Cognitive Computing & Industry Solutions, Science and Technology. Main research topics are nanotechnology, supercomputing, advanced server technology, RAID systems & tape storage, security and privacy. IBM Research – Zurich employs a steady stream of postdoctoral fellows, PhD candidates, and summer students who pass through the laboratory. More than 30 nationalities, primarily from European countries, are represented among the research staff members, including such specialists as computer scientists, mathematicians, electrical engineers, physicists, and chemists. IBM Research – Zurich is involved in more than 80 joint projects with universities throughout Europe, in research programs established by the European Union and the Swiss government, and in co-operation agreements with research institutes of industrial partners. |
