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...
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...
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. ...
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...
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...
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...