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CPHYSICS
2007
77views more  CPHYSICS 2007»
11 years 8 months ago
Low-pressure plasma generation inside slender tubes
Low pressure (<50 mTorr) argon discharges inside tubes of a few millimeters in diameter have been studied by means of one- and twodimensional particle-in-cell Monte Carlo colli...
F. Iza, J. K. Lee
CPHYSICS
2007
222views more  CPHYSICS 2007»
11 years 8 months ago
JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices
A new software code for computing selected eigenvalues and associated eigenvectors of a real symmetric matrix is described. The eigenvalues are either the smallest or those closes...
Matthias Bollhöfer, Yvan Notay
CPHYSICS
2007
437views more  CPHYSICS 2007»
11 years 8 months ago
Python: a language for computational physics
Python is a relatively new computing language, created by Guido van Rossum (Tanenbaum et al, 1990), which is particularly suitable for teaching a course in computational physics. ...
P. H. Borcherds
CPHYSICS
2007
78views more  CPHYSICS 2007»
11 years 8 months ago
Selective adsorption of alkyl thiols on gold in different geometries
The adsorption of mixtures of alkyl thiol surfactants on the Au(111) surface as well as on icosahedral gold nanocrystals (NCs) was investigated by molecular simulation. We compare...
Philipp Schapotschnikow, René Pool, Thijs J...
CPHYSICS
2007
84views more  CPHYSICS 2007»
11 years 8 months ago
Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...
Yongzhi Chen, Xin Chen, Yuefan Deng
CPHYSICS
2007
79views more  CPHYSICS 2007»
11 years 8 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
CPHYSICS
2007
103views more  CPHYSICS 2007»
11 years 8 months ago
Algorithms for the evolution of electronic properties in nanocrystals
We illustrate recent progress in developing algorithms for solving the Kohn-Sham problem. Key ingredients of our algorithm include pseudopotentials implemented on a real space gri...
James R. Chelikowsky, Murilo L. Tiago, Yousef Saad...
CPHYSICS
2007
83views more  CPHYSICS 2007»
11 years 8 months ago
Monte Carlo simulations of phase transitions of systems in nanoscopic confinement
Kurt Binder, Jürgen Horbach, Andrey Milchev, ...
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