Knowledge-based process for the development of materials
AssigneeNovoDynamics, Inc.
InventorsEnrique Iglesia, Laurent Kieken, Matthew Neurock
Life of this patent
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Abstract
A method and system for the development of materials includes a high-throughput data-generation cycle, a knowledge-generation cycle, and a knowledge repository or database. The data-generation cycle generates high-quality data for the virtual and experimental evaluation of new catalytic materials. The knowledge-generation cycle generates working hypotheses, relating performance to catalyst properties, from analysis and modeling of experimental and virtual data and data from literature, from correlations generated from experimental, theoretical, and/or modeling findings, and optionally from computational chemistry modeling investigations, in order to identify better materials.
Claims9
A process for providing a rapid approach to the rational development of scalable high-performance materials, the process comprising:
- a high-throughput data generation cycle for rapidly generating informative data in a high-throughput mode for virtual and experimental evaluation of new materials;
- a knowledge generation cycle that uses input from existing experimental data, correlations generated from experimental, theoretical, and/or modeling findings, theoretical and modeling investigations and the combination thereof in order to generate:
- (i) working hypotheses and (ii) suggested steps for experimental and/or theoretical investigations to guide the search for better materials;
- a knowledge repository for storing the data generated by the high-throughput data generation cycle and for storing the knowledge generated by the knowledge generation cycle and its database content;
- and
- a software/hardware platform that integrates the high-throughput data generation cycle with the knowledge generation cycle.
A computer-assisted method for developing materials, comprising:
- identifying data that includes at least one of (i) input from existing experimental data;
- (ii) correlations generated from at least one of experimental, theoretical, and/or modeling findings;
- and (iii) theoretical and modeling investigations to generate working hypotheses;
- and
- based on the data identified in the identifying step, suggesting next steps for at least one of experimental investigations and theoretical investigations to identify better materials.
Dependencies are inferred from the claim text.