电邮这篇文章 Volunteer computing for computational materials design
- 作者: Khrapov N.1, Roizen V.2, Posypkin M.3, Samtsevich A.4, Oganov A.2,4,5,6
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隶属关系:
- Institute for Information Transmission Problems
- Moscow Institute of Physics and Technology
- Federal Research Center “Computer Science and Control,”
- Skolkovo Institute of Science and Technology
- Stony Brook University
- International Center for Materials Discovery
- 期: 卷 38, 编号 5 (2017)
- 页面: 926-930
- 栏目: Article
- URL: https://journals.rcsi.science/1995-0802/article/view/200099
- DOI: https://doi.org/10.1134/S1995080217050195
- ID: 200099
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详细
The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. In this paper, we discuss the popular USPEX evolutionary algorithm for crystal structure prediction. Here we present the distributed computing implementation of USPEX based on a popular BOINC volunteer computing platform, and discuss experimental results and project performance.
作者简介
N. Khrapov
Institute for Information Transmission Problems
编辑信件的主要联系方式.
Email: nkhrapov@gmail.com
俄罗斯联邦, Moscow, 127051
V. Roizen
Moscow Institute of Physics and Technology
Email: nkhrapov@gmail.com
俄罗斯联邦, Dolgoprudny, Moscow oblast, 141701
M. Posypkin
Federal Research Center “Computer Science and Control,”
Email: nkhrapov@gmail.com
俄罗斯联邦, Moscow, 119333
A. Samtsevich
Skolkovo Institute of Science and Technology
Email: nkhrapov@gmail.com
俄罗斯联邦, Moscow, 143026
A. Oganov
Moscow Institute of Physics and Technology; Skolkovo Institute of Science and Technology; Stony Brook University; International Center for Materials Discovery
Email: nkhrapov@gmail.com
俄罗斯联邦, Dolgoprudny, Moscow oblast, 141701; Moscow, 143026; Stony Brook, NY, 11794; Xi’an, 710072
