Under the spell of Athena (and Jupiter)

It was a very very long trip, which began on Sunday at 2 p.m. and ended on Monday at 11 pm (with a 15-hours stopover in Milan), but finally, I landed in Athens! Since first sight from the plane, I understood this was

Posted in Blogs 2017, PRACE Summer of HPC 2017 Tagged with: , , , , , , , ,

Greece. A place to be.

Random View in Greece. Get used to it, because it's that beautiful everywhere here.

Choosing Greece and BRFAA, Zoe Cournia lab, for my PRACE Summer of HPC destination was probably one of the best decisions of my life. To be honest, the project was pretty difficult sometimes and I had a few days of

Posted in Blogs 2015 Tagged with: , , , , ,

This is happening!

According to a plan, last week I’ve finally started my first proper simulation. That means, that upcoming one will finally be more chilled (hopefully). I transferred the files from Maestro to Gromacs, solvated, added ions, minimized, equilibrated (see tutorial, but

Posted in Blogs 2015 Tagged with: , , , , , , ,

How to prepare MD simulation? Halfway in Athens.

My enzyme is ready for further steps!

First month has already passsed. That was really fast. But that is what happens when you have limited time for unlimited activities – which Greece for sure gives you, and which, for sure gives you a project in Molecular Dynamics

Posted in Blogs 2016 Tagged with: , , , , ,

Summer of HPC in Athens

When we got invited to SoHPC, both of us were very excited. Samanta was sitting with friends in a bar when she received an e-mail and celebrated it immediately. Juan had just woken up (cultural differences, am I right?) but

Posted in Blogs 2015 Tagged with: , , , , , ,

Samanta Makurat

Samanta Makurat comes from the beautiful city of Gdansk in Poland, where she is making her PhD degree in Chemistry. Her main field is computational chemistry, and as a theoretical part of Biological Sensitizers Laboratory team is responsible for supporting

Posted in Participants 2016 Tagged with: , , , , ,
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