24 August to 29 September 2022

Picking Flowers: online hands-on tutorial - register before August 30!

Register now to the upcoming online hands-on tutorial: Picking flowers 2022.


neural networks


03 August 2022

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 2022

MaX at Psi-k Conference

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


26 April 2022

Excitonic effects in graphene-like C3N

Carbon nitrides are gaining...


02 March 2022

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...


01 February 2022

Unraveling Heat Transport and Dissipation in Suspended MoSe2 from Bulk to Monolayer

Read more on this new MaX paper here:



20 December 2021

MaX online training on codes: material and links - Booklet

Since February 2020, due to COVID19 pandemic...


22 November 2021

Interference effects in one-dimensional moiré crystals

Moiré patterns emerge when two...