Apparatus and methods for predicting physical and chemical properties of materials
US6106562A · kind A · utility
10Cited by
11References
20Claims
0Family size
Assignee
Inventors
Key dates
| Filing date | Aug 26, 1992 |
| Grant date | Aug 22, 2000 |
| Priority date | — |
| Expiry date | Aug 26, 2012 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C10/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Improved methods and apparatus for predicting physical properties of complex materials are provided. The physical properties are predicted from the electronic structure of the material. The electronic structure is determined using an iterative, computer-based technique. The iterative technique has been found to have a rate of convergence at least an order of magnitude faster than prior techniques for determining electronic structures. Among other applications, the invention is used to prepare materials having selected physical properties under selected conditions.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.