Мақаланы E-mail арқылы жіберу Volunteer computing for computational materials design
- Авторлар: Khrapov N.1, Roizen V.2, Posypkin M.3, Samtsevich A.4, Oganov A.2,4,5,6
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Мекемелер:
- 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
- Шығарылым: Том 38, № 5 (2017)
- Беттер: 926-930
- Бөлім: Article
- URL: https://journals.rcsi.science/1995-0802/article/view/200099
- DOI: https://doi.org/10.1134/S1995080217050195
- ID: 200099
Дәйексөз келтіру
Ашық рұқсат
Рұқсат берілді
Тек жазылушылар үшін
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.
Негізгі сөздер
Авторлар туралы
N. Khrapov
Institute for Information Transmission Problems
Хат алмасуға жауапты Автор.
Email: nkhrapov@gmail.com
Ресей, Moscow, 127051
V. Roizen
Moscow Institute of Physics and Technology
Email: nkhrapov@gmail.com
Ресей, Dolgoprudny, Moscow oblast, 141701
M. Posypkin
Federal Research Center “Computer Science and Control,”
Email: nkhrapov@gmail.com
Ресей, Moscow, 119333
A. Samtsevich
Skolkovo Institute of Science and Technology
Email: nkhrapov@gmail.com
Ресей, 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
Ресей, Dolgoprudny, Moscow oblast, 141701; Moscow, 143026; Stony Brook, NY, 11794; Xi’an, 710072
