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Your search keyword '"Klien, Michael"' showing total 2 results
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2 results on '"Klien, Michael"'

1. Liquid water from first principles: Investigation of different sampling approaches

Author

I-Feng, W. Kuo, Mundy, Christopher J., Krack, Matthias, McGrath, Matthew J., Siepmann, J. Ijja, Parinello, Michele, Vondele, Joost Vande, Sprik, Michiel, Hutter, Jurg, Bin Chen, Klien, Michael L., and Mohamed, Fawzi

Subjects
Molecular dynamics -- Research, Water chemistry -- Research, Chemicals, plastics and rubber industries
Abstract

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to investigate the reproducibility of different sampling approaches. The computational benefits of CPMD sampling over Born-Oppenheimer sampling for structural and thermodynamic properties are appreciable for liquid water and arise from the substantial reduction time per step.

Published
2004

2. Passionate About Family

Author

Klien, Michael

Subjects
An Alchemy in the Bones (Book), Books -- Book reviews, Literature/writing, Women's issues/gender studies
Abstract

An Alchemy in the Bones by William Reichard New Rivers Press pb $13.95, 80 pp. These poems by William Reichard are alternately elegiac and confounding. The strongest poems in An [...]

Published
2000

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