Отправить статью по E-mail Volunteer computing for computational materials design
- Авторы: Khrapov N.1, Roizen V.2, Posypkin M.3, Samtsevich A.4, Oganov A.R.2,4,5,6
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Учреждения:
- 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
- Выпуск: Том 38, № 5 (2017)
- Страницы: 926-930
- Раздел: Article
- URL: https://journals.rcsi.science/1995-0802/article/view/200099
- DOI: https://doi.org/10.1134/S1995080217050195
- ID: 200099
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Аннотация
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.
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N. Khrapov
Institute for Information Transmission Problems
Автор, ответственный за переписку.
Email: nkhrapov@gmail.com
Россия, Moscow, 127051
V. Roizen
Moscow Institute of Physics and Technology
Email: nkhrapov@gmail.com
Россия, Dolgoprudny, Moscow oblast, 141701
M. Posypkin
Federal Research Center “Computer Science and Control,”
Email: nkhrapov@gmail.com
Россия, Moscow, 119333
A. Samtsevich
Skolkovo Institute of Science and Technology
Email: nkhrapov@gmail.com
Россия, 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
Россия, Dolgoprudny, Moscow oblast, 141701; Moscow, 143026; Stony Brook, NY, 11794; Xi’an, 710072
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