A Density Functional Theory-based Force Field for Modelling Silica-Water Interfaces

Jayawardena, Thanuja [University of Kansas]; Godahewa, Sahan M. [University of Kansas]; Thompson, Ward H. [University of Kansas]; Greathouse, Jeffery A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000242473362)

doi:10.2172/3365848

DOE OSTI · 3365848

A Density Functional Theory-based Force Field for Modelling Silica-Water Interfaces

Jayawardena, Thanuja [University of Kansas]·Godahewa, Sahan M. [University of Kansas]·Thompson, Ward H. [University of Kansas]·Greathouse, Jeffery A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000242473362)

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Jayawardena, Thanuja [University of Kansas], Godahewa, Sahan M. [University of Kansas], Thompson, Ward H. [University of Kansas], Greathouse, Jeffery A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000242473362). 2025-05-01. A Density Functional Theory-based Force Field for Modelling Silica-Water Interfaces. https://doi.org/10.2172/3365848

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