Highlights of (bio-)chemical tools and visualization software for computational science

Review (2019)

Authors

David Dubbeldam Universiteit van Amsterdam
Jocelyne Vreede Universiteit van Amsterdam
T.J.H. Vlugt Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
Sofía Calero University Pablo de Olavide
Research Group
Engineering Thermodynamics (Mechanical, Maritime and Materials Engineering) (TU Delft)
Copyright: © 2019 David Dubbeldam, Jocelyne Vreede, T.J.H. Vlugt, Sofia Calero
DOI: https://doi.org/10.1016/j.coche.2019.02.001
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Published Date

2019

Language

English

Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Engineering Thermodynamics

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.

Files

Paper.pdf
(pdf | 3.33 Mb)
- Embargo expired in 01-03-2021
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