Enhance Your Research with Advanced Atomistic Simulation Consulting

STM and STS simulations are our main expertise and we have repeatedly gone above and beyond standard calculations for our clients.

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Examples of custom simulations:

• dI/dV Map simulations - a special STM mode that was developed for dr. Szymon Godlewski.

• Modelling of tip with different frontier orbitals for Dr. John Randall of Zyvex Labs.

• Application of a model surface potential to deal with non-planar species for dr. Marek Kolmer of Oak Ridge National Labs.

Developing new simulations is a time-consuming task. Luckily, we do not need to start from scratch.

Our procedure is the following

1. Do a comprehensive literature study and locate open-source and commercial packages.

2. Install packages and test the simulation type against your requirements.

3. Collect and implement this method on your resources in a docker container or on a secure deployment on the Meluxina supercomputer.

Designed to enhance collaboration across your organization, we propose developing apps that put the power of simulations directly into the hands of your experimental team or your clients. 

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We will start from the basis of an existing simulation workflow, developed by you, by us, or by a third party. Then we will:

1. Implement the workflow in our flexible open-source CalcTroll framework.

2. Create GUI and API components.

3. Deploy the browser application depending on security considerations - internal docker container, secure deployment, or cloud-based.    

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Finding the right talent in atomistic simulation can be a time-consuming process due to the specialized skills required. Our recruitment assistance service helps you connect with simulation experts and evaluate their suitability for your team.