计算材料设计教授
皇家理工大学(犹州)
应用材料物理,材欧洲杯足球竞彩料,科学与工程系欧洲杯线上买球
Brinellvägen23.
斯德哥尔摩
SE-10044
瑞典
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背景
研究
- Materials modeling from first-principles theory (e.g., performed the first ab initio quantum mechanical description of steels, established the only database for surface energy and surface energy anisotropy, created a set of ab initio composition-property maps for austenitic steels; predicted the high-pressure phase for several minerals within the Earth’s lower mantle and core-mantle boundary; demonstrated the success of high pressure alloying in the case of Iron-group elements; demonstrated the beneficial effect of chemically inert interfaces in galling problem; established the surface stress database for transition metals)
- Density functional theory and Kohn-Sham methods (e.g., derived energy functionals for metal surfaces; developed the Full Charge Density technique for muffin-tin methods; worked out the Exact Muffin-Tin Orbitals method for alloys, which has made possible to extend, for the first time, the accurate atomistic simulations from ordered structures to the case of concentrated random alloys)
- 现代计算合金理论(实施FCD技术,实施了EMTO和EMTO-相干潜在近似方法;协调来自15名不同国家的120多个研究人员,参与基于EMTO的计算)
- 其他:与参与计算量子 - 力学的国际研究小组建立的联系,与瑞典,芬兰和其他国际公司不同的研发部门有着强烈的合作。