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CPHYSICS
2007
78views more  CPHYSICS 2007»
13 years 9 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
2004
54views more  CPHYSICS 2004»
13 years 9 months ago
Self-gravitational collapse of a magnetized cloud core: high resolution simulations with three-dimensional MHD nested grid
We investigate self-gravitational collapse of magnetized molecular cloud cores and formation of the outflow. We employ a nested grid in order to resolve fine structures of protost...
Tomoaki Matsumoto, Masahiro N. Machida, Kohji Tomi...
CPHYSICS
2008
62views more  CPHYSICS 2008»
13 years 9 months ago
Trial wave functions for high-pressure metallic hydrogen
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion...
Carlo Pierleoni, Kris T. Delaney, Miguel A. Morale...
CPHYSICS
2006
95views more  CPHYSICS 2006»
13 years 9 months ago
Multibillion-atom molecular dynamics simulation: Design considerations for vector-parallel processing
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...
D. C. Rapaport
CPHYSICS
2006
95views more  CPHYSICS 2006»
13 years 9 months ago
Efficient data processing and quantum phenomena: Single-particle systems
We study the relation between the acquisition and analysis of data and quantum theory using a probabilistic and deterministic model for photon polarizers. We introduce criteria fo...
H. De Raedt, Koen De Raedt, K. Michielsen, S. Miya...