February 11, 2022
MaX Hackathon: porting MaX flagship codes on AMD accelerated architectures
In this hackathon, selected members from the developers' group of the MaX flagship codes will test...
February 2, 2022
Unraveling Heat Transport and Dissipation in Suspended MoSe2 from Bulk to Monolayer
D. Saleta Reig, S. Varghese, R. Farris, A. Block, J. D. Mehew, O. Hellman, P. Woźniak, M...
February 1, 2022
Unraveling Heat Transport and Dissipation in Suspended MoSe2 from Bulk to Monolayer
Read more on this new MaX paper here: https://icn2.cat/en/news/4810-thin-is-cool-researchers-unveil...
January 31, 2022
Wannier 2022 Summer School
An ICTP Hybrid Meeting Deadline for application: 15 February 2022
January 28, 2022
Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations
Despite governing heat management in any realistic device, the microscopic mechanisms of heat...
January 20, 2022
Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
T. G. Saunderson, J. F. Annett, G. Csire, and M. Gradhand
January 20, 2022
Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
The authors have implemented the Bogoliubov–de Gennes equation in a screened Korringa-Kohn-Rostoker...
January 18, 2022
Impact of MAX flagship codes
This section is dedicated to the usage of the MaX flagship codes and their geographical diffusion...
January 18, 2022
Magnetic properties of coordination clusters with {Mn4} and {Co4} antiferromagnetic cores
S. Achilli, C. Besson, X. He, P. Ordejón, C. Meyer, and Z. Zanolli
January 18, 2022
Magnetic properties of coordination clusters with {Mn4} and {Co4} antiferromagnetic cores
The authors present a joint experimental and theoretical characterization of the magnetic...
January 13, 2022
Merging of superfluid helium nanodroplets with vortices
Within density functional theory, the authors have investigated the coalescence dynamics of two...
January 10, 2022
On the importance of the electric double layer structure in aqueous electrocatalysis
To design electrochemical interfaces for efficient electric-chemical energy interconversion, it is...
January 4, 2022
Unraveling Heat Transport and Dissipation in Suspended MoSe 2 from Bulk to Monolayer
Understanding heat flow in layered transition metal dichalcogenide (TMD) crystals is crucial for...
January 1, 2022
Merging of superfluid helium nanodroplets with vortices
J. M. Escartín, F. Ancilotto, M. Barranco, and M. Pi
December 31, 2021
Heat transport in liquid water from first-principles and deep-neural-network simulations
D. Tisi, L. Zhang, R. Bertossa, H. Wang, R. Car, and S. Baroni
December 23, 2021
Evidence for equilibrium exciton condensation in monolayer WTe2
We present evidence that the two-dimensional bulk of monolayer WTe 2 contains electrons and holes...
December 22, 2021
New more efficient Car-Parrinello molecular dynamics with GPUs in the new release of Quantum ESPRESSO (qe-v7.0)
The new release of Quantum ESPRESSO (qe-v7.0) comes with a significant performance step-up of the...
December 22, 2021
Manipulation of Spin Transport in Graphene/Transition Metal Dichalcogenide Heterobilayers upon Twisting
Spintronics is one of the emerging fields for next-generation nanoelectronic devices, promising to...
December 20, 2021
MaX Training Booklet
Download the new MaX booklet and learn more about its online trainings!
December 20, 2021
MaX online training on codes: material and links - Booklet
Since February 2020, due to COVID19 pandemic breakthrough and the constraints it brought, the...
December 15, 2021
Localized electronic vacancy level and its effect on the properties of doped manganites
D. Juan, M. Pruneda, and V. Ferrari
December 15, 2021
Thermal and Tidal Evolution of Uranus with a Growing Frozen Core
L. Stixrude, S. Baroni, and F. Grasselli