Papers in Computational Physics

Computational Physics papers in Physics, A

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  1. From the Preface: "This book was written for the active reader. The first part consists of problems, frequently preceded by definitions and motivation, and sometimes followed by corollaries and historical remarks... The second part, a very short…
  2. We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We discuss…
  3. We present calculations of the absolute and relative binding free energies of complexation of streptavidin with biotin and its analogs by means of a thermodynamic free energy perturbation method implemented with molecular dynamics. Using the…
  4. We performed a systematic density functional (DF) study of the adsorption of copper, silver, and gold adatoms on pristine graphene, especially accounting for van der Waals (vdW) interactions by the vdW-DF and PBE + D2 methods. In particular, we…
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