May 7, 2020
April 2020 Newsletter
Welcome to our MaX April 2020 Newsletter. Our warmest wishes for these challenging times!
May 7, 2020
Sebastiaan Huber
Sebastiaan Huber received his master's degree in chemistry and physics from the University of...
May 7, 2020
MaX Webinars
MaX is organizing a series of webinars presenting the most recent developments of the MaX flagship...
May 7, 2020
Managing, simplifying and disseminating High-Throughput computational materials science with AiiDA, AiiDA lab, and the Materials Cloud Archive
Thank you for joining the MAX webinar on "Managing, simplifying and disseminating High-Throughput...
May 4, 2020
First-principles simulations of materials with SIESTA - POSTPONED
NEWS: The school First-principles simulations of materials with SIESTA, initially scheduled in Prague from May 4 to May 8 2020, has been postponed to a later date . We will keep you abreast once the new date will be confirmed. Event: First-principles simulations of materials with SIESTA Where: Faculty of Electrical Engineering (Fakulta Elektrotechnická) in Technická 2, Prague (Czech Republic) Who (in-charge): Zeila Zanolii (ICN2) What: School When: 4-8 May 2020
May 1, 2020
Growth, charge and thermal transport of flowered graphene
We report on the structural and transport properties of the smallest dislocation loop in graphene,...
May 1, 2020
Growth, charge and thermal transport of flowered graphene
A. Cresti, J. Carrete, H. Okuno, T. Wang, G.K.H. Madsen, N. Mingo, and P. Pochet
April 29, 2020
MaX Newsletter - April 2020
Follow this link to read the MaX Newsletter, where we update you on some of our ongoing activities...
April 29, 2020
Reproducibility in G0W0 calculations for solids
T. Rangel, M. Del Ben, D. Varsano, G. Antonius, F. Bruneval, F. H. da Jornada, M. J. van Setten, O...
April 29, 2020
Guidelines for Selecting Interlayer Spacers in Synthetic 2D-Based Antiferromagnets from First-Principles Simulations
R. Cuadrado and M. Pruneda
April 29, 2020
Coexistence of Elastic Modulations in the Charge Density Wave State of 2H-NbSe2
B. Guster, C. Rubio Verdú, R. Robles, J. Zaldívar, P. Dreher, J. M. Alonso Pruneda, J. A. Silva...
April 27, 2020
Fabio Affinito
Fabio Affinito graduated in Physics at the University of Rome, “La Sapienza”, in 2003 and got a PhD...
April 27, 2020
Iron-based binary ferromagnets for transverse thermoelectric conversion
A. Sakai, S. Minami, T. Koretsune, T.S. Chen, T. Higo, Y.M. Wang, T. Nomoto, M. Hirayama, S. Miwa,...
April 27, 2020
Elucidating the Effect of Planar Graphitic Layers and Cylindrical Pores on the Storage and Diffusion of Li, Na, and K in Carbon Materials
E. Olsson, J. Cottom, H.H. Au, Z.Y. Guo, A.C.S. Jensen, H. Alptekin, A.J. Drew, M.M. Titirici, and...
April 27, 2020
Digital Learning for Electronic Structure Theory Codes - POSTPONED
NEWS: The "Digital Learning for Electronic Structure Theory Codes" School, initially scheduled in Lausanne from April 27 to April 30, has been postponed to a later date . We will keep you abreast once the new date will be confirmed. Event: Digital Learning for Electronic Structure Theory Codes Where: CECAM-HQ-EPFL, Lausanne, CH Who (in-charge): UGent, EPFL What: School When: 27-30 April 2020
April 24, 2020
Fast hybrid density-functional computations using plane-wave basis sets
I. Carnimeo, S. Baroni, and P. Giannozzi
April 24, 2020
Sculpting Artificial Edges in Monolayer MoS2 for Controlled Formation of Surface-Enhanced Raman Hotspots
Hotspot engineering has the potential to transform the field of surface-enhanced Raman spectroscopy...
April 24, 2020
Sculpting Artificial Edges in Monolayer MoS2 for Controlled Formation of Surface-Enhanced Raman Hotspots
R. Rani, A. Yoshimura, S. Das, M.R. Sahoo, A. Kundu, K.K. Sahu, V. Meunier, S.K. Nayak, N. Koratkar...
April 23, 2020
WEBINAR: How to use Quantum ESPRESSO on new GPU based HPC systems
Description and scope: New HPC clusters based on accelerators will soon enter the production phase...
April 22, 2020
Ultrastable Sodium-Sulfur Batteries without Polysulfides Formation Using Slit Ultramicropore Carbon Carrier
The formation of the soluble polysulfides (Na 2 S n , 4 ≤ n ≤ 8) causes poor cycling performance...
April 22, 2020
Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene
Z.Y. Jiang, W.K. Lou, Y. Liu, Y.C. Li, H.F. Song, K. Chang, W.H. Duan, and S.B. Zhang
April 22, 2020
Anisotropic Transport Property of Antimonene MOSFETs
Y.H. Yin, C. Shao, C. Zhang, Z.F. Zhang, X.W. Zhang, J. Robertson, and Y.Z. Guo