Molecular simulations and visualization : University of Nottingham, Nottingham, UK, 7-9 May 2014

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Molecular simulations and visualization : University of Nottingham, Nottingham, UK, 7-9 May 2014

(Faraday discussions, v. 169)

Royal Society of Chemistry, 2014

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Includes bibliographical references

"A General Discussion on Molecular Simulations and Visualization was held in Nottingham, UK on the 7th, 8th and 9th May 2014."--P. 5

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Description

Biology, chemistry and materials science make extensive use of computational methods ranging from applications at the cellular level to detailed atomistic simulations of molecular assemblies, materials or small molecules. Many of these computational methods are nowadays routinely used to complement experimental studies. However, despite maturity of this intrinsically multi-disciplinary field, recent progress in the computational sciences has only slowly found its way into numerical simulations. In particular, the enormous potential of immersive and interactive virtual reality approaches, and advanced visual analysis of simulation data, have not been well explored so far. This title aims to illustrate and discuss the potential of human computer interaction and virtual reality for computational molecular sciences for researchers involved in the natural sciences and computational sciences whilst exploring beyond the boundaries of each discipline.

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