Scientific Visualization for Computational Chemistry

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The course is aimed at providing the students with basic and advanced tools for graphical analysis and representation of scientific data in computational chemistry. Examples of data analysis and graphic representation throughout the school progam will cover data insight, data plotting, visualizzation of chemical and biological structures with test cases and tutorials aimed at getting familiar with common graphical representation techniques. Presentation and tutorial of the most used applications and tools for graphic representation and manipulation of scientific data will be also presented. Special focus will be paid to analysis of chemical and biochemical structures in the background of molecular simulations (quantum-mechanics and classical). All lectures and tutorials will be performed on HPC resources equipped with state-of-art hardware and software. Certificate of attendance will be issued at the end of the school for each students.


Data analysis in Comp. Chemistry, data formats, Visualizzation and rendering of chemical structures.

Target audience:

Researchers and Ph.D. students in computational chemistry


Basic knowledge of unix environment

Research Institutions
3 dd
Minimum number of attendants required: 

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Cineca is a non profit Consortium, made up of 70 Italian universities, 5 Italian Research Institutions and the Italian Ministry of Education.

Today it is the largest Italian computing centre, one of the most important worldwide. With more seven hundred employees, it operates in the technological transfer sector through high performance scientific computing, the management and development of networks and web based services, and the development of complex information systems for treating large amounts of data.

It develops advanced Information Technology applications and services, acting like a trait-d'union between the academic world, the sphere of pure research and the world of industry and Public Administration. .

Visit the Cineca website