Research Achievment
Prof. Gerbrand Ceder
Profile
Professor, University of California Berkeley, USA
- Research field
- Data-driven materials research
- Research achievement title
- Pioneering data-driven materials research based on the first-principles calculations
- Research summary
- Prof. Ceder has opened a new era of computational materials science by realizing the idea of linking the first-principles calculation data with statistical thermodynamics. He has demonstrated the power of materials design based on a large amount of computational data and pioneered data-driven materials research. Prof. Ceder has achieved outstanding results in the design and development of various functional materials, including lithium ion battery cathode materials, solid electrolytes, and thermoelectric conversion materials.
- Impact on the academic and industrial sectors
- Prof. Ceder’s idea on materials design based on a large amount of first-principles calculation data had great impacts on academia and industry. His work has led to the development of present computer data infrastructures dedicated to materials design. Prof. Ceder created a recent trend in materials development using data science.
Dr. Pierre Villars
Profile
Director and Owner, Material Phases Data System, Switzerland
- Research field
- Fundamental research supporting data-driven materials research
- Research achievement title
- Development of Pauling File, inorganic materials database
- Research summary
- Dr. Villars advocated the concept of a database that organically links crystal structures, phase diagrams and properties of inorganic materials, and developed “Pauling File”, a high quality and comprehensive world’s largest inorganic materials database, from more than 180,000 documents published in over 1,000 scientific journals after year 1900 with unique curation method. As of July 2019, about 335,000 crystal structures, 44,000 state diagrams, and 400,000 properties have been recorded, and updates are ongoing.
- Impact on the academic and industrial sectors
- 8 database products such as AtomWork and AtomWork Adv. provided by NIMS and Crystal Structure Data in PDF-4 + by ICDD, as well as 8 handbooks such as Landolt-Börnstein Handbook of Inorganic Substances (Springer) and Inorganic Substances Bibliography (DeGruyter) have been published based on the constructed inorganic materials database and are widely used throughout the world. In recent years, “data-driven materials research” using this database has been activated, and it is recognized as an important data resource to support the area.
