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ORCIDComputer Physics Communications, Volume 211
Volume 211, February 2017
- Jue Wang, Fei Gao
, José Luis Vázquez-Poletti, Jianjiang Li:
High performance computing for advanced modeling and simulation of materials. 1
- Markus Eisenbach, Jeff Larkin, Justin Lutjens, Steven C. Rennich, James H. Rogers:
GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials. 2-7 - Weile Jia, Jue Wang, Xuebin Chi, Lin-Wang Wang:
GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations. 8-15 - Jilin Zhang, Chaoqun Sha, Yusen Wu, Jian Wan, Li Zhou, Yong-Jian Ren, Huayou Si, Yuyu Yin, Ya Jing:
The novel implicit LU-SGS parallel iterative method based on the diffusion equation of a nuclear reactor on a GPU cluster. 16-22 - José M. Cecilia, Alejandro Mateo Hernández-Díaz, Pedro Castrillo, Javier Fernando Jiménez-Alonso:
Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys. 23-30 - Changjun Hu, Xianmeng Wang, Jianjiang Li, Xinfu He, Shigang Li, Yangde Feng, Shaofeng Yang, He Bai:
Kernel optimization for short-range molecular dynamics. 31-40
- Guocai Lv, Yanjing Su:
Molecular dynamics simulation and first principles calculations of radiation-induced Cu clusters in Fe-3 at.% Cu alloy. 41-44 - Yang Cao, Chun Liu, Yuehui Huang, Tieqiang Wang, Chenjun Sun, Yue Yuan, Xinsong Zhang, Shuyun Wu:
Parallel algorithms for islanded microgrid with photovoltaic and energy storage systems planning optimization problem: Material selection and quantity demand optimization. 45-53 - Xingyu Gao, Zeyao Mo, Jun Fang, Haifeng Song, Han Wang:
Parallel 3-dim fast Fourier transforms with load balancing of the plane waves. 54-60 - Edoardo Di Napoli, Elmar Peise, Markus Hrywniak, Paolo Bientinesi:
High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods. 61-72
- Changjun Hu, He Bai, Xinfu He, Boyao Zhang, Ningming Nie, Xianmeng Wang, Yingwen Ren:
Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure. 73-78
- Weipeng Jing, Danyu Tong, Yangang Wang, Jingyuan Wang, Yaqiu Liu, Peng Zhao:
MaMR: High-performance MapReduce programming model for material cloud applications. 79-87 - José Luis Vázquez-Poletti, Rafael Moreno-Vozmediano, Rui Han, W. Wang, Ignacio Martín Llorente:
SaaS enabled admission control for MCMC simulation in cloud computing infrastructures. 88-97 - Xiaoming Zhang, Xin Liu, Xin Li, Dongyu Pan:
MMKG: An approach to generate metallic materials knowledge graph based on DBpedia and Wikipedia. 98-112
- Baodong Wu, Shigang Li, Yunquan Zhang, Ningming Nie:
Hybrid-optimization strategy for the communication of large-scale Kinetic Monte Carlo simulation. 113-123
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