scholarly journals Acceleration of Large-Scale Electronic Structure Simulations with Heterogeneous Parallel Computing

2019 ◽  
Author(s):  
Oh-Kyoung Kwon ◽  
Hoon Ryu
Keyword(s):  
Electronic Structure ◽  
Parallel Computing ◽  
Large Scale

Thermal-Scalable 3D Parallel-Heat-Sinking Integration Methodology: Key SoC Technology for Large-Scale Parallel Computing

2011 ◽  
Vol 34 (4) ◽  
pp. 717-728
Author(s):  
Zu-Ying LUO ◽  
Yin-He HAN ◽  
Guo-Xing ZHAO ◽  
Xian-Chuan YU ◽  
Ming-Quan ZHOU
Keyword(s):  
Parallel Computing ◽  
Large Scale ◽  
Heat Sinking

scholarly journals Efficient Straggler Replication in Large-Scale Parallel Computing

2019 ◽  
Vol 4 (2) ◽  
pp. 1-23 ◽  
Author(s):  
Da Wang ◽  
Gauri Joshi ◽  
Gregory W. Wornell
Keyword(s):  
Parallel Computing ◽  
Large Scale

Large-scale numerical simulation of laser propulsion by parallel computing

2013 ◽  
Author(s):  
Yaoyuan Zeng ◽  
Wentao Zhao ◽  
Zhenghua Wang
Keyword(s):  
Numerical Simulation ◽  
Parallel Computing ◽  
Large Scale ◽  
Laser Propulsion

Gordon Bell finalists I---Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform

2006 ◽  
Author(s):  
Francois Gygi ◽  
Christoph W. Ueberhuber ◽  
Juergen Lorenz ◽  
Erik W. Draeger ◽  
Martin Schulz ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Large Scale ◽  
Electronic Structure Calculations ◽  
Structure Calculations

THE CONNECTION MACHINE IN A UNIVERSITY ENVIRONMENT: GESAMTHOCHSCHULE WUPPERTAL

1993 ◽  
Vol 04 (01) ◽  
pp. 137-141
Author(s):  
KLAUS SCHILLING
Keyword(s):  
Parallel Computing ◽  
Computer Science ◽  
Large Scale ◽  
Early History ◽  
Short Account ◽  
University Environment ◽  
Connection Machine ◽  
The University

A short account is presented on the early history, the intentions and the development of large scale parallel computing at the University of Wuppertal. It might serve as an illustration how common activities between computational and computer science can be stimulated, in the university environment.

Disordering of MgAl2O4 spinel from first principles

2000 ◽  
Vol 64 (2) ◽  
pp. 311-317 ◽  
Author(s):  
M. C. Warren ◽  
M. T. Dove ◽  
S. A. T. Redfern
Keyword(s):  
Free Energy ◽  
Electronic Structure ◽  
First Principles ◽  
Large Scale ◽  
Experimental Measurements ◽  
Zero Temperature ◽  
Macroscopic Models ◽  
Tetrahedral Sites ◽  
Degree Of Order ◽  
Good Agreement

AbstractAt high temperature, MgAl2O4 spinel is stabilized by disorder of Mg and Al between octahedral and tetrahedral sites. This behaviour has been measured up to 1700 K in recent neutron experiments, but the extrapolation of subsequently fitted thermodynamic models is not reliable. First principles simulation of the electronic structure of such minerals can in principle accurately predict disorder, but would require unfeasibly large computing resources. We have instead parameterized on-site and short-ranged cluster potentials using a small number of electronic structure simulations at zero temperature. These potentials were then used in large-scale statistical simulations at finite temperatures to predict disordering thermodynamics beyond the range of experimental measurements. Within the temperature range of the experiment, good agreement is obtained for the degree of order. The entropy and free energy are calculated and compared to those from macroscopic models.

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