Molecular simulations and visualization: introduction and overview

JD Hirst and DR Glowacki and M Baaden, FARADAY DISCUSSIONS, 169, 9-22 (2014).

DOI: 10.1039/c4fd90024c

Here we provide an introduction and overview of current progress in the field of molecular simulation and visualization, touching on the following topics: (1) virtual and augmented reality for immersive molecular simulations; (2) advanced visualization and visual analytic techniques; (3) new developments in high performance computing; and (4) applications and model building.

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