Liquid Water from First Principles: Investigation of Different Sampling Approaches

By I. W. Kuo, C. Mundy, M. McGrath, J. Siepmann, Joost VandeVondele, Michiel Sprik, J. Hutter, Bin Chen, M. Klein, F. Mohamed and 2 more. 2004

280 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Fluid Flow and Transfer Processes

View Paper: https://www.semanticscholar.org/paper/f791599504cc83ab999040a289b944eef11077a7

How researchers see this paper

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In Atomic and Molecular Physics, and Optics

1. Marcella Iannuzzi
2. F. Schiffmann
3. Juerg Hutter
4. Joost VandeVondele

Citations in the corpus

• cp2k: atomistic simulations of condensed matter systems (2014, methodology): “In recent years, methodologies to perform NPT and grand canonical Monte Carlo simulations of molecular liquids have been implemented into the cp2k code [32, 33, 34].”