Apache Spark: Are Big Data tools applicable in HPC?

Project reference: 1703 This project started as a SoHPC 2016 project, where we implemented routinely used quantum chemistry Hartree-Fock (HF) method in Apache Spark framework. Due to a lack of time, several goals remained unreached, such as: how efficient can

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Calculation of nanotubes by utilizing the helical symmetry properties

Project reference: 1704 In calculations of nanotubes prevail methods based on a one-dimensional translational symmetry using a huge unit cell. A pseudo two-dimensional approach, when the inherent helical symmetry of general chiralitynanotubes is exploited, has been limited to simple approximate

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Katerina Galata

Her name is Katerina Galata. She 21 years old and comes from Athens, Greece. She is an undergraduate chemical engineer in the National Technical University of Athens. At the moment, she is doing her diploma in particle simulations in order

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