Category: newsletter

Computational protocol for heat capacity and thermal conductivity of nanofluids

MaX researchers at ICN2 in Barcelona have developed a new computational protocol to understand thermal energy storage in molten salts and nanofluids. The protocol, in the form of a ready-to-use workflow, will be soon publicly available and will permit to

MaX strategy for code benchmarking

A meeting on detailed strategies to benchmark MaX flagship codes took place last October at CINECA. Benchmarking is in fact an extremely important task for a twofold reason. On the one hand, it provides an immediate feedback to the developers

MaX advances: the elusive “excitonic insulator” phase can be actually realized in a vast class of carbon nanotubes

MaX members have recently predicted that the elusive “excitonic insulator” phase speculated fifty years ago by Walter Kohn can be actually realized in a vast class of carbon nanotubes.  The addressed problem was computationally demanding because extreme accuracy in the

Just published a new paper on Quantum ESPRESSO advances!

A new paper documenting recent advances in Quantum Espresso is available on-line: “Advanced capabilities for materials modelling with QuantumESPRESSO” is the title of the new paper published on 24 October 2017 in the Journal of Physics: Condensed Matter, Volume 29, Number 46. DOI:10.1088/1361-648X/aa8f79  This

Brand new MaX newsletter just issued

Eager to read news about MaX world, its flagship codes, exascale enabling, co-design, HPC-Europa, and much more? In number 2 of our newsletter you’ll learn about MaX prize for frontier HPC applications in materials research; about the new feature for

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Quantum ESPRESSO goes to market

MaX is proud to announce that one of its open-source flagship codes, Quantum ESPRESSO, is now also integrated into the Schrödinger LLC’s Materials Science Suite. This new development is the result of an ongoing collaboration between Schrödinger LLC and the

A new scalability record in a materials science application

Another step towards the exascale was made by a team of MaX researchers at CNR (NANO & ISM) who have run a multi petaFlop simulation with the MaX flagship application Yambo. A single GW calculation has run on 1000 Intel

Designing new solid-state electrolytes for batteries through AiiDA workflows

A substantial improvement in performance and safety of electrochemical storage systems is mandatory in order to reduce the amount of greenhouse gases emitted by our vehicles. This can only be achieved by finding new materials to be used as electrolytes

Welcome to the MaX newsletter

The lively world of MaX is now available at a glance: the new MaX newsletter has been issued and is available here. In this zero issue news about MaX’s user portal; Quantum Espresso simulation of natural food colours; Siesta news and much

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