NCCR MARVEL
MATERIALS’ REVOLUTION: COMPUTATIONAL DESIGN AND DISCOVERY OF NOVEL MATERIALS
http://nccr-marvel.ch/
The objective of this NCCR is an accelerated, intensive effort in the design and discovery of novel materials, with a concerted effort in areas where current societal needs are most urgent and most pressing. These include materials for energy harvesting, conversion, and storage, materials for future information-and-communication technologies, and the processing and stability of materials, especially organic crystals and pharmaceuticals. This goal of radically transforming and accelerating the design or discovery of materials will be made possible by a combination of 1) predictive and realistic quantum simulations techniques, representing the state-of-the-art and beyond in electronic-structure theory and its applications, 2) the merge of tools and concepts of computer science, such as data mining, machine learning, and data analytics, with the goals of computational materials science, creating the novel field of materials' informatics, and 3) the ever increasing availability of supercomputing power, harnessed and streamlined by a materials' informatics infrastructure able to rapidly execute, store, and data mine massive high-throughput searches, and to leverage all the synergies between the computational groups involved in this proposal
The goal of the experimental verification platform (PP7) on experimental synthesis and characterization within the NCCR is to harness the vast and diverse experimental capabilities in materials' synthesis, analysis and characterization of Swiss laboratories to create a tight synergy with the computational activities of this NCCR, with the objectives of
For further information see short presentation.
The National Centres of Competence in Research (NCCR) are a research instrument of the Swiss National Science Foundation
MATERIALS’ REVOLUTION: COMPUTATIONAL DESIGN AND DISCOVERY OF NOVEL MATERIALS
http://nccr-marvel.ch/
The objective of this NCCR is an accelerated, intensive effort in the design and discovery of novel materials, with a concerted effort in areas where current societal needs are most urgent and most pressing. These include materials for energy harvesting, conversion, and storage, materials for future information-and-communication technologies, and the processing and stability of materials, especially organic crystals and pharmaceuticals. This goal of radically transforming and accelerating the design or discovery of materials will be made possible by a combination of 1) predictive and realistic quantum simulations techniques, representing the state-of-the-art and beyond in electronic-structure theory and its applications, 2) the merge of tools and concepts of computer science, such as data mining, machine learning, and data analytics, with the goals of computational materials science, creating the novel field of materials' informatics, and 3) the ever increasing availability of supercomputing power, harnessed and streamlined by a materials' informatics infrastructure able to rapidly execute, store, and data mine massive high-throughput searches, and to leverage all the synergies between the computational groups involved in this proposal
The goal of the experimental verification platform (PP7) on experimental synthesis and characterization within the NCCR is to harness the vast and diverse experimental capabilities in materials' synthesis, analysis and characterization of Swiss laboratories to create a tight synergy with the computational activities of this NCCR, with the objectives of
•providing experimental synthesis, characterization, and measurement of the properties and performance for the materials' design effort.
•help directing this effort to support some of the strategic goals of the experimental materials' laboratories.
The experimental verification platform is coordinated by Pierangelo Groening (EMPA), Maksym Kovalenko (EMPA), Michel Kenzelmann (PSI) and Frithjof Nolting (PSI).For further information see short presentation.
