Accelerating NMR Shielding Calculations Through Machine Learning Methods: Application to Magnesium Sodium Silicate Glasses.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Marco Bertani, Alfonso Pedone, Francesco Faglioni, Thibault Charpentier. Nome Rivista o serie: ChemPhysChem Editore: Chemistry Europe Accessibilità: Open Access Leggi qui: doi.org/10.1002/cphc.202300782
Disorder-resilient transition of helical to conical ground states in M1/3NbS2, M=Cr,Mn
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Manaswini Sahoo, Pietro Bonfà, Amelia. E. Hall, Daniel. A. Mayoh, Laura T. Corredor, Anja U.B. Wolter, Bernd Büchner, Geetha Balakrishnan, Roberto De Renzi, Giuseppe Allodi. Nome Rivista o serie: Editore: Accessibilità: Open Access CC BY-NC-ND 4.0 Leggi qui: doi.org/10.48550/arXiv.2410.01631
Chiroptical properties of cyanine aggregates: hierarchical modelling from monomers to bundles.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Francesco Bertocchi, Shahana Nizar, Cristina Sissa, Minghao Li, Thomas W. Ebbesen, Cyriaque Genet, Anna Painelli. Nome Rivista o serie: Chemical Science Editore: RSC Accessibilità: Open Access Leggi qui: doi.org/10.1039/D4SC04968C
Shedding light on thermally-activated delayed fluorescence.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Francesco Di Maiolo, D.K. Andrea Phan Huu, Andrea Landi, Ottavia Racchi, Davide Giavazzi, Anna Painelli. Nome Rivista o serie: Chemical Science Editore: RSC Accessibilità: Open Access Leggi qui: doi.org/10.1039/D4SC00033A
Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Pietro Bonfà, Ifeanyi John Onuorah, Franz Lang, Iurii Timrov, Lorenzo Monacelli, Chennan Wang, Xiao Sun, Oleg Petracic, Giovanni Pizzi, Nicola Marzari, Stephen J. Blundell, Roberto De Renzi. Nome Rivista o serie: Physical Review Letters Editore: APS Accessibilità: Green Open Access Leggi qui: […]
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Vishal Kumar Jaiswal, Daniel Aranda Ruiz, Vasilis Petropoulos, Piotr Kabaciński, Francesco Montorsi, Lorenzo Uboldi, Simone Ugolini, Shaul Mukamel, Giulio Cerullo, Marco Garavelli, Fabrizio Santoro, Artur Nenov. Nome Rivista o serie: Nature Communications Editore: Nature Accessibilità: Open Access CC BY 4.0 Leggi qui: […]
Insights into the stability and reactivity of lithiated Si-binder interfaces for next generation lithium-ion batteries.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Elena Degoli, Alice Ruini, Rita Magri, Rita Maji, Michele A. Salvador, Omer Suat Taskin, Neslihan Yuca. Nome Rivista o serie: Journal of Power Sources Editore: Elsevier Accessibilità: CC BY-NC-ND licence Leggi qui: doi.org/10.1016/j.jpowsour.2024.234705
Structural and Dynamic Characterization of Li-Ionic Liquid Electrolyte Solutions for Application in Li-Ion Batteries: A Molecular Dynamics Approach.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Elena Degoli, Alice Ruini, Rita Magri, Michele Aparecida Salvador, Rita Maji, Francesco Rossella. Nome Rivista o serie: Batteries Editore: MDPI Accessibilità: Open Access, Creative Commons Attribution 4.0 licence. Leggi qui: doi.org/10.3390/batteries9040234
The Major Effect of Trapped Charge on Dielectric Breakdown Dynamics and Lifetime Estimation.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Sara Vecchi, Andrea Padovani, Paolo Pavan, Francesco Maria Puglisi. Nome Rivista o serie: 2023 IEEE International Integrated Reliability Workshop (IIRW) Editore: IEEE Accessibilità: Restricted Leggi qui: hdl.handle.net/11380/1335866
Circular dichroism of molecular aggregates: A tutorial.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Francesco Bertocchi, Cristina Sissa, Anna Painelli. Nome Rivista o serie: Chirality Editore: Wiley Accessibilità: Open Access Leggi qui: doi.org/10.1002/chir.23565
