March 14, 2022
Evidence for equilibrium exciton condensation in monolayer WTe2
B. Sun, W. Zhao, T. Palomaki, Z. Fei, E. Runburg , P. Malinowski, X. Huang, J. Cenker, Y-T. Cui, J...
March 10, 2022
MaX at EuroHPC Summit Week 2022 in Paris
The EuroHPC Summit Week (EHPCSW) 2022 will take place in person from 22nd to 24th of March in Paris...
March 2, 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 industrial...
February 23, 2022
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding
W. Dawson, S. Mohr, L. E. Ratcliff, T. Nakajima, and L. Genovese
February 22, 2022
Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in TaTe4
Bogdan Guster, Miguel Pruneda, Pablo Ordejón, and Enric Canadell
February 22, 2022
Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in TaTe4
The origin of the charge density wave in TaTe4 is discussed on the basis of a first-principles...
February 18, 2022
Surface termination dependence of electronic and optical properties in Ti2CO2 MXene monolayers
Z. Kandemir, E. Torun, F. Paleari, C. Yelgel, and C. Sevik
February 18, 2022
Surface termination dependence of electronic and optical properties in Ti2CO2 MXene monolayers
Two-dimensional (2D) MXenes are a rapid growing family of 2D materials with rich physical and...
February 15, 2022
Wannier 2022 Summer School
This 5-day school (May 16-20, 2022) is designed to allow participants to join both in-person and...
February 15, 2022
MaX school: Ab-initio Many-Body Methods and Simulations with the Yambo Code
Event: MaX school "Ab-initio Many-Body Methods and Simulations with the Yambo Code" Where: hybrid,...
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
The impact of the MaX lighthouse codes within the scientific community can be effectively visualized through the maps collected in this section. In these maps, there are reported records of peer-reviewed papers citing the MaX lighthouse codes, divided by country both worldwide and in Europe. In the case of multiple authors from the same countries, the publication is counted once for each country. Source: Web of Science. Maps generated with Datawrapper. All Codes Worldwide 2023 Worldwide Distribution Check the MaX 2023 Worldwide distribution and compare how the geographical distribution of authors' affiliation in peer-reviewed publications has evolved since then: All codes in Europe 2023 European Distribution Check the MaX 2023 European distribution and compare how the geographical distribution of authors' affiliation in peer-reviewed publications has evolved since then: MaX lighthouse codes - Total Citations Total number of citations of reference papers of the MaX lighthouse codes . Source: Web of Science .
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...