COMPUTER MODELING OF SOLID-STATE INORGANIC MATERIALS

被引：125

作者：

CATLOW, CRA ^{[1
]}

PRICE, GD ^{[1
]}

机构：

[1] UNIV LONDON UNIV COLL, DEPT GEOL SCI, LONDON WC1E 6BT, ENGLAND

来源：

NATURE | 1990年 / 347卷 / 6290期

关键词：

D O I：

10.1038/347243a0

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Computational methods can now make detailed and accurate predictions of the structures of inorganic materials. Electronic-structure calculations are being performed for increasingly large systems, and simulation methods based on 'effective potentials' may now be used to model complex materials. One of the most exciting fields of application is mineralogy, which poses a major challenge to the predictive capacity of contemporary computational techniques. © 1990 Nature Publishing Group.

引用

页码：243 / 248

页数：6

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