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• Why do you need to program your own tools, scripts, format handling, etc...? FOCUS on the science, Let DENEB take care of the rest.

• Would you like to create a CNT, molecules caged in C60, any surface or bulk of any material, doped graphene, etc... graphically and in only a few minutes?.

• Do you want to launch a calculation to any remote super-computer(*), directly from your laptop with just a single click?.

• How about monitoring your remote calculation from your laptop and automatically getting its status and click to bring the results when done?


Do you have an idea ...?


All of it, and more -much more- can be done with DENEB ...


DENEB is a powerful application capable of managing hundreds of projects, each containing hundreds of simulations applied to different samples, every one containing thousands of atoms. DENEB interfaces with most relevant simulation packages.







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Create, import and manage hundreds of projects, simulations and samples.


Combine molecules into samples, several samples into new samples, simulations into projects etc, by simple copy-paste operations.

Edit projects, simulation's computational parameters, and samples with intuitive graphical user interfaces in seconds.

Launch your simulations into your favorite calculation engine(*), automatically monitoring its progress and getting back the outputs. 

With DENEB you can create in minutes

as many complex physical systems

as you wish, and launch their

simulations into your favorite 

calculation engine.

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DENEB fully integrated tools

NanoExplorer is a database, capable to deal with thousands of samples:
- Import all your samples (from your files formats) into NanoExplorer, and organize them into categories.

- Quick search and visualization.
- Export to xyz and DENEB's format. 
- Save as image files.


Sample Manipulator is a powerful visualization, measurement and creation module: Visualize, measure, navigate through samples. Create new samples by:

Building them from scratch.

Modifying existing samples.

Combine several samples-molecules into new ones.


With Project Browser, you can create and manage your projects and simulations:

- Create projects and simulations, group them as you want, and visualize the sample in any simulation.

- Edit simulation parameters using Parameter Editor, and launch them into remote hosts with a single click.


Job Manager allows you to: - Launch simulations for execution into remote hosts where the calculation engine(*) is installed

- Monitor automatically the remote computations state (pending, running, success, fail).

- Retrieve automatically the computations output

DENEB remembers for you


of computational parameters.

It classifies and helps you

combine thousands

of samples.












( * ) In current release  SIESTA Calculation Package supported



DENEB is a product of Atelgraphics (C) 2015