Sciweavers

67 search results - page 1 / 14
» Scalable atomistic simulation algorithms for materials resea...
Sort
View
SP
2002
IEEE
109views Security Privacy» more  SP 2002»
13 years 5 months ago
Scalable atomistic simulation algorithms for materials research
A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorit...
Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, ...
CPHYSICS
2007
79views more  CPHYSICS 2007»
13 years 6 months ago
Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceram
We have developed scalable parallel algorithms for first-principles based predictive atomistic simulations of materials.
Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano
IJHPCA
2008
131views more  IJHPCA 2008»
13 years 6 months ago
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
IPPS
2009
IEEE
14 years 24 days ago
A metascalable computing framework for large spatiotemporal-scale atomistic simulations
A metascalable (or “design once, scale on new architectures”) parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials...
Ken-ichi Nomura, Richard Seymour, Weiqiang Wang, H...
ICPP
2006
IEEE
14 years 6 days ago
Scalable Time-Parallelization of Molecular Dynamics Simulations in Nano Mechanics
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
Yanan Yu, Ashok Srinivasan, Namas Chandra