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npj computational materials

Showing results (51-60 of 91) with videos related to

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Npj Computational Materials|April 26, 2024
Infrared-active phonons in one-dimensional materials and their spectroscopic signaturesNorma Rivano, Nicola Marzari, Thibault Sohier
Npj Computational Materials|April 26, 2024
Hyperactive learning for data-driven interatomic potentialsCas van der Oord, Matthias Sachs, Dávid Péter Kovács, et al.
Npj Computational Materials|February 9, 2026
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO appXing Wang, Edan Bainglass, Miki Bonacci, et al.
Npj Computational Materials|December 19, 2024
Crosslinking degree variations enable programming and controlling soft fracture via sideways crackingMiguel Angel Moreno-Mateos, Paul Steinmann
Npj Computational Materials|June 5, 2023
An interpretable deep learning approach for designing nanoporous silicon nitride membranes with tunable mechanical propertiesAli K Shargh, Niaz Abdolrahim
Npj Computational Materials|March 30, 2026
Analysing heat transport in crystalline polymers in real and reciprocal spaceLukas Reicht, Lukas Legenstein, Sandro Wieser, et al.
Npj Computational Materials|April 16, 2026
Carrier mobilities and electron-phonon interactions beyond DFTAleksandr Poliukhin, Nicola Colonna, Francesco Libbi, et al.
Npj Computational Materials|April 23, 2026
System-conditioned reparameterization of the SCAN functional for accurate bandgaps: from analytical constraints to machine learningViviana Dovale-Farelo, Pedram Tavadze, Miguel A L Marques, et al.
Npj Computational Materials|April 28, 2026
Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response propertiesZhandos A Moldabekov, Sebastian Schwalbe, Uwe Hernandez Acosta, et al.
Npj Computational Materials|January 22, 2025
Accelerating materials property prediction via a hybrid Transformer Graph framework that leverages four body interactionsMohammad Madani, Valentina Lacivita, Yongwoo Shin, et al.
Pageof 10

Showing results (51-60 of 91) with videos related to

Sort By:
Pageof 10
Npj Computational Materials|April 26, 2024
Infrared-active phonons in one-dimensional materials and their spectroscopic signaturesNorma Rivano, Nicola Marzari, Thibault Sohier
Npj Computational Materials|April 26, 2024
Hyperactive learning for data-driven interatomic potentialsCas van der Oord, Matthias Sachs, Dávid Péter Kovács, et al.
Npj Computational Materials|February 9, 2026
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO appXing Wang, Edan Bainglass, Miki Bonacci, et al.
Npj Computational Materials|December 19, 2024
Crosslinking degree variations enable programming and controlling soft fracture via sideways crackingMiguel Angel Moreno-Mateos, Paul Steinmann
Npj Computational Materials|June 5, 2023
An interpretable deep learning approach for designing nanoporous silicon nitride membranes with tunable mechanical propertiesAli K Shargh, Niaz Abdolrahim
Npj Computational Materials|March 30, 2026
Analysing heat transport in crystalline polymers in real and reciprocal spaceLukas Reicht, Lukas Legenstein, Sandro Wieser, et al.
Npj Computational Materials|April 16, 2026
Carrier mobilities and electron-phonon interactions beyond DFTAleksandr Poliukhin, Nicola Colonna, Francesco Libbi, et al.
Npj Computational Materials|April 23, 2026
System-conditioned reparameterization of the SCAN functional for accurate bandgaps: from analytical constraints to machine learningViviana Dovale-Farelo, Pedram Tavadze, Miguel A L Marques, et al.
Npj Computational Materials|April 28, 2026
Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response propertiesZhandos A Moldabekov, Sebastian Schwalbe, Uwe Hernandez Acosta, et al.
Npj Computational Materials|January 22, 2025
Accelerating materials property prediction via a hybrid Transformer Graph framework that leverages four body interactionsMohammad Madani, Valentina Lacivita, Yongwoo Shin, et al.
Pageof 10