31 May

Modular structure to enhance efficiency and flexibility of simulation codes for materials science: the SIESTA case

A paper recently published in the Royal Society Open Science journal discusses the...


21 April

Quantum ESPRESSO version 7.2 now available

New features, bug fixes and other improvements have been implemented in this new version.


Image credit: Matthew Cherny


17 April

Speeding up semiconductor calculations

Researchers at Cnr Nano have developed a groundbreaking computational method that speeds up calculations in two-dimensional semiconductors. This...


21 February

Towards a new era of materials science: MaX develops advanced simulation software for powerful supercomputers

In January 2023 the European High Performance Computing Joint...


21 February to 23 February

Kick-off Meeting February 2023

A new era of MaX is starting.

MaX Kick-off meeting will be held soon in the AGO Modena Fabbriche...


13 November to 18 November


The International Conference for High Performance Computing, Networking, Storage, and Analysis - ...

neural networks


03 August

Neural networks allows ab initio simulation of water viscosity

The viscosity of fluids is a crucial parameter playing a fundamental role in many fields of science and technology, ranging from chemical and...


14 July

MaX at Psi-k Conference

MaX will be at the Psi-k 2022 International Conference in Lausanne, August 22 to 25, 2022.


26 April

Excitonic effects in graphene-like C3N

Carbon nitrides are gaining...


02 March

Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations

Thermal transport in Solid State Electrolytes (SSEs) is of paramount importance for the...