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Tag: 2025

Binding and spontaneous condensation of excitons in narrow-gap carbon nanotubes

Binding and spontaneous condensation of excitons in narrow-gap carbon nanotubes

G. Sesti, D. Varsano, E. Molinari, and M. Rontani

Phys. Rev. B 112, 235424 (2025) DOI: doi.org/10.1103/xgwl-25nh

Heterogeneous Memory Pool Tuning

Heterogeneous Memory Pool Tuning

F. Vaverka, O. Vysocky, and L. Riha

2025 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) IPDPS 2025 DOI: 10.1109/IPDPSW66978.2025.00141

Green and Kubo forge the arrow of time

Green and Kubo forge the arrow of time

S. Baroni

Molecular Physics, 123, 7–8 (2025) DOI: 10.1080/00268976.2024.2388300

Unveiling the exciton formation in time, energy and momentum domain in layered van der Waals semiconductors

Unveiling the exciton formation in time, energy and momentum domain in layered van der Waals semiconductors

V. Gosetti, J. Cervantes-Villanueva, S. Mor, D. Sangalli, A. García-Cristóbal, A. Molina-Sánchez, V. F. Agekyan, M. Tuniz, D. Puntel, W. Bronsch, F. Cilento, and S. Pagliara

Progress in Surface Science 100, 2, 100777 (2025) DOI: 10.1016/j.progsurf.2025.100777

High-pressure and high-temperature thermoelasticity of hcp osmium from ab initio quasiharmonic theory

High-pressure and high-temperature thermoelasticity of hcp osmium from ab initio quasiharmonic theory

X. Gong and A. Dal Corso

Physical Review B, 112 (2), 024103 (2025) DOI: 10.1103/j1sn-dqbl

How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric Spectrum

How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric Spectrum

F. Pabst and S. Baroni

Journal of Physical Chemistry Letters, 16 (31), 7915 – 7920 (2025) DOI: 10.1021/acs.jpclett.5c01401

Dynamical heterogeneity in supercooled water and its spectroscopic fingerprints

Dynamical heterogeneity in supercooled water and its spectroscopic fingerprints

C. Malosso, E. D. Donkor, S. Baroni, and A. A. Hassanali

Journal of Chemical Physics, 163 (14), 144508 (2025) DOI: 10.1063/5.0288343

Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds

Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds

M. Bercx, S. Poncé, Y. Zhang, G. Trezza, A. Ghorbani Ghezeljehmeidan, L. Bastonero, J. Qiao, F. O. von Rohr, G. Pizzi, E. Chiavazzo, and N. Marzari

PRX Energy 4, 033012 (2025) DOI: 10.1103/sb28-fjc9

Teaching oxidation states to neural networks

Teaching oxidation states to neural networks

C. Malica and N. Marzari

npj Computational Materials (2025) DOI: 10.1038/s41524-025-01709-z

High-pressure and high-temperature thermoelasticity of tantalum: An ab initio study

High-pressure and high-temperature thermoelasticity of tantalum: An ab initio study

X. Gong and A. Dal Corso

J. Chem. Phys. 162, 124709 (2025) DOI:162/12/124709/3340505/High-pressure-and-high-temperature

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