March 17, 2021
MaX at Nvidia GTC 2021
On April 14th MaX will hold an invited session at GTC2021 , the NVIDIA’s spring conference. Its contribution will discuss the performance and portability of MaX flagship codes with a special focus on GPU accelerators. Registration is free and required: join us!
March 17, 2021
Highlights from last winter gatherings of MaX code developers
To discuss and plan the evolution of flagship codes and domain specific libraries, MaX regularly organizes technical meetings bringing together long-standing developers of the codes and newcomers. Read here news from the last winter’s online gatherings for Quantum ESPRESSO and Yambo codes.
March 17, 2021
MaX Workshop at the EuroHPC Summit Week 2021
MaX will participate in the EuroHPC Summit Week 2021 online edition. The Centre of Excellence will hold a 1-hour workshop on “Computational Materials Design at the Exascale: porting community codes, challenges and success cases”. See the program here , register here and join us on March 24th, 3-4 PM.
March 11, 2021
Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities
M. Winkelmann, E. Di Napoli, D. Wortmann, and S. Blügel
March 10, 2021
First-principles simulations of materials with SIESTA
Event: First-principles simulations of materials with SIESTA When: June 28th - July 2nd, 2021 Where: online Who (in-charge): ICN2 What: School
March 9, 2021
MaX Flagship codes: latest releases
“Within the MaX Centre of Excellence, we aim at bringing the most successful and the widely used...
March 8, 2021
March 8, reflections from some of the women @ MaX
By Maria Celeste Maschio ( CNR ) & Rita Giuffrida ( Trust-IT Services ) Though at a first and...
March 2, 2021
Virtual school on "Electronic excitations in solids and nanostructures using the Yambo code"
The Yambo Team is pleased to announce the: Virtual school on "Electronic excitations in solids and...
February 26, 2021
MaX at EMMC international workshop
The EMMC International Workshop is the leading event that gathers key-players from different...
February 25, 2021
Electronic structure of the parent compound of superconducting infinite-layer nickelates
M. Hepting, D. Li, C.J. Jia, H. Lu, E. Paris, Y. Tseng, X. Feng, M. Osada, E. Been, Y. Hikita, Y.D...
February 22, 2021
Ultrafast excitonic signal and 2D semiconductors
Besides graphene, the famous monolayer crystal which consists of a lattice of hexagonally arranged...
February 16, 2021
Transition Metal Dichalcogenide monolayers investigated through Many-Body Perturbation Theory
Ultrathin layered 2D materials are next generation candidates for electronics and functional...
February 15, 2021
AiiDAlab, an intuitive infrastructure for computational workflows
Cloud services and platforms have revolutionized all the fields in which they have found...
February 15, 2021
AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows
Cloud platforms allow users to execute tasks directly from their web browser and are a key enabling...
February 12, 2021
How EU projects work on supercomputing applications to help contain the corona virus pandemic - MaX contribution
The Centres of Excellence in high-performance computing are working to improve supercomputing...
February 12, 2021
MaX CoE Workshop @EHPCSW21
The EuroHPC Summit Week (EHPCSW) 2021 will gather the main European HPC stakeholders from...
February 9, 2021
Optical Signatures of Defect Centres in Transition Metal Dichalcogenide Monolayers
P. M. M. C. de Melo, Z. Zanolli, and M. J. Verstraete
February 9, 2021
Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal-Organic Framework
A. Schneemann, L.F. Wan, A.S. Lipton, Y.S. Liu, J.L. Snider, A.A. Baker, J.D. Sugar, C.D. Spataru,...
February 3, 2021
Optical Signatures of Defect Centers in Transition Metal Dichalcogenide Monolayers
Even the best quality 2D materials have non‐negligible concentrations of vacancies and impurities...
January 29, 2021
Spectroscopic and Structural Characterization of Water-Shared Ion-Pairs in Aqueous Sodium and Lithium Hydroxide
The structures of the ion-pairs formed in aqueous NaOH and LiOH solutions are elucidated by...
January 28, 2021
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy
Vibrational sum-frequency generation (vSFG) spectroscopy allows the study of the structure and...
January 18, 2021
Magnetic response and electronic states of well defined Graphene/Fe/Ir(111) heterostructure
C. Cardoso, G. Avvisati, P. Gargiani, M. Sbroscia, M. S. Jagadeesh, C. Mariani, D. A. Leon, D...