Highlights of (bio-)chemical tools and visualization software for computational science
David Dubbeldam (Universiteit van Amsterdam)
Jocelyne Vreede (Universiteit van Amsterdam)
Thijs JH J. H. Vlugt (TU Delft - Engineering Thermodynamics)
Sofía Calero (University Pablo de Olavide)
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Abstract
Computational chemistry uses computer simulation to assist in solving chemical problems. Typical workflows of computational chemists include the use of dozens of utilities. 3D modeling programs are powerful tools that help researchers visualize their work and create illustrative graphics. In this review, we describe and highlight tools and visualization packages that are commonly used in the field of (bio-)chemistry and material science.
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