Molecular simulations and visualization: introduction and overview.

Jonathan D Hirst (1) , David R Glowacki (2) , Marc Baaden (3)

1 Mitochondrial Biology Unit
2 School of Chemistry
3 LBT (UPR_9080) - Laboratoire de biochimie théorique [Paris]

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.

Domaines: Chimie théorique et/ou physique

Jonathan D Hirst, David R Glowacki, Marc Baaden. Molecular simulations and visualization: introduction and overview.. Faraday Discussions, 2014, 169, pp.9-22. ⟨10.1039/c4fd90024c⟩. ⟨hal-01084628⟩