Email this article Volunteer computing for computational materials design
- Authors: Khrapov N.1, Roizen V.2, Posypkin M.3, Samtsevich A.4, Oganov A.R.2,4,5,6
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Affiliations:
- 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
- Issue: Vol 38, No 5 (2017)
- Pages: 926-930
- Section: Article
- URL: https://journals.rcsi.science/1995-0802/article/view/200099
- DOI: https://doi.org/10.1134/S1995080217050195
- ID: 200099
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Abstract
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.
Keywords
About the authors
N. Khrapov
Institute for Information Transmission Problems
Author for correspondence.
Email: nkhrapov@gmail.com
Russian Federation, Moscow, 127051
V. Roizen
Moscow Institute of Physics and Technology
Email: nkhrapov@gmail.com
Russian Federation, Dolgoprudny, Moscow oblast, 141701
M. Posypkin
Federal Research Center “Computer Science and Control,”
Email: nkhrapov@gmail.com
Russian Federation, Moscow, 119333
A. Samtsevich
Skolkovo Institute of Science and Technology
Email: nkhrapov@gmail.com
Russian Federation, Moscow, 143026
A. R. 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
Russian Federation, Dolgoprudny, Moscow oblast, 141701; Moscow, 143026; Stony Brook, NY, 11794; Xi’an, 710072
