Estimation of the physico-chemical parameters of materials based on rare earth elements with the application of computational model

被引：0

作者：

Mamaev, K. ^{[1
]}

Obkhodsky, A. ^{[1
]}

Popov, A. ^{[2
]}

机构：

[1] Natl Res Tomsk Polytech Univ, 30 Lenina Ave, Tomsk 634050, Russia

[2] LLC Depos, 7a Botanicheskij Side Str, Tomsk 634033, Russia

来源：

2ND INTERNATIONAL SYMPOSIUM ON FUNDAMENTAL ASPECTS OF RARE-EARTH ELEMENTS MINING AND SEPARATION AND MODERN MATERIALS ENGINEERING (REES-2015) | 2016年 / 112卷

关键词：

D O I：

10.1088/1757-899X/112/1/012028

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Computational model, technique and the basic principles of operation program complex for quantum-chemical calculations of material's physico-chemical parameters with rare earth elements are discussed. The calculating system is scalable and includes CPU and GPU computational resources. Control and operation of computational jobs and also Globus Toolkit 5 software provides the possibility to join computer users in a unified system of data processing with peer-to-peer architecture. CUDA software is used to integrate graphic processors into calculation system.

引用

页数：9

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