Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis
Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis
E. Drigo, S. Baroni, and P. Pegolo
J. Chem. Theory Comput. 20, 14, 6152–6159 (2024) DOI:10.1021/acs.jctc.4c00124
Efficient GW calculations via interpolation of the screened interaction in momentum and frequency space: The case of graphene
Efficient GW calculations via interpolation of the screened interaction in momentum and frequency space: The case of graphene
A. Guandalini, D. A. Leon, P. D’Amico, C. Cardoso, A. Ferretti, M. Rontani, and D. Varsano
Phys. Rev. B 109, 075120 (2024) DOI: 10.1103/PhysRevB.109.075120
Inhibitory behaviour and adsorption stability of benzothiazole derivatives as corrosion inhibitors towards galvanised steel
Inhibitory behaviour and adsorption stability of benzothiazole derivatives as corrosion inhibitors towards galvanised steel
Q. Deng, J. M. Castillo-Robles, E. de Freitas Martins, P. Ordejón, J.-N. Gorges, P. Eiden, X.-B. Chen, P. Keil, and I. Cole
Mol. Syst. Des. Eng., Advance Article (2024) DOI: 10.1039/D3ME00153A
Energies and spectra of solids from the algorithmic inversion of localized GW
Energies and spectra of solids from the algorithmic inversion of localized GW
T. Chiarotti, A. Ferretti, and N. Marzari
Phys. Rev. Research 6, L032023 DOI: 10.1103/PhysRevResearch.6.L032023
Detection of a coherent excitonic state in the layered semiconductor BiI3
Detection of a coherent excitonic state in the layered semiconductor BiI3
V. Gosetti, J. Cervantes-Villanueva, D. Sangalli, A. Molina-Sánchez, V. F. Agekyan, C. Giannetti, L. Sangaletti, S. Mor, and S. Pagliara
ACS Photonics 2024, 11, 6, 2513–2520 DOI: 10.1021/acsphotonics.4c00520
Unearthing the foundational role of anharmonicity in heat transport in glasses
Unearthing the foundational role of anharmonicity in heat transport in glasses
A. Fiorentino, E. Drigo, S. Baroni, and P. Pegolo
Phys. Rev. B 109, 224202 DOI: 10.1103/PhysRevB.109.224202
Excitons in layered BiI3: Effects of dimensionality and crystal anisotropy
Excitons in layered BiI3: Effects of dimensionality and crystal anisotropy
J. Cervantes-Villanueva, F. Paleari, A. García-Cristóbal, D. Sangalli, A. Molina-Sánchez
Phys. Rev. B 109, 155133 DOI: 10.1103/PhysRevB.109.155133
CASTIEL2 “Communication workshop” in Brussels
On Friday, 22 March 2024, CASTIEL2 hosted a “Communication workshop” featuring Champions from various European locations. The event took place at the prestigious HOEK 38 offices in Brussels, Belgium, bringing together representatives from CoEs and NCCs for training sessions and collaborative discussions on potential synergies. The day was marked by lively interaction, productivity, and inspiration. We […]
Women in the eXascale era
February 11 marked the “International Day of Women and Girls in Science”. MaX celebrated this day by launching “Women in the eXascale era”, a social media campaign that aims to foster girls’ motivation to study science and pursue a scientific career. Starting on 11 February 2024, photos and quotes of the project´s women scientists were […]