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npj computational materials

Showing results (61-70 of 91) with videos related to

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Npj Computational Materials|December 9, 2024
Range-separated hybrid functionals for accurate prediction of band gaps of extended systemsJing Yang, Stefano Falletta, Alfredo Pasquarello
Npj Computational Materials|December 23, 2024
A general framework for active space embedding methods with applications in quantum computingStefano Battaglia, Max Rossmannek, Vladimir V Rybkin, et al.
Npj Computational Materials|November 20, 2024
High-throughput Density Functional Perturbation Theory and Machine Learning Predictions of Infrared, Piezoelectric and Dielectric ResponsesKamal Choudhary, Kevin F Garrity, Vinit Sharma, et al.
Npj Computational Materials|November 6, 2025
Quantitative theory of magnetic properties of elemental praseodymiumLeonid V Pourovskii, Alena Vishina, Olle Eriksson, et al.
Npj Computational Materials|September 25, 2025
Leveraging unlabeled SEM datasets with self-supervised learning for enhanced particle segmentationLuca Rettenberger, Nathan J Szymanski, Andrea Giunto, et al.
Npj Computational Materials|October 22, 2021
Topological representations of crystalline compounds for the machine-learning prediction of materials propertiesYi Jiang, Dong Chen, Xin Chen, et al.
Npj Computational Materials|November 26, 2021
Systematic Coarse-graining of Epoxy Resins with Machine Learning-Informed Energy RenormalizationAndrea Giuntoli, Nitin K Hansoge, Anton van Beek, et al.
Npj Computational Materials|April 29, 2026
Equivariant electronic Hamiltonian prediction with many-body message passingChen Qian, Valdas Vitartas, James R Kermode, et al.
Npj Computational Materials|May 4, 2026
Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES codeThomas P van Waas, Christophe Berthod, Jan Berges, et al.
Npj Computational Materials|March 16, 2026
Active learning potentials for first-principles phase diagrams using replica-exchange nested samplingNico Unglert, Michael Ketter, Georg K H Madsen
Pageof 10

Showing results (61-70 of 91) with videos related to

Sort By:
Pageof 10
Npj Computational Materials|December 9, 2024
Range-separated hybrid functionals for accurate prediction of band gaps of extended systemsJing Yang, Stefano Falletta, Alfredo Pasquarello
Npj Computational Materials|December 23, 2024
A general framework for active space embedding methods with applications in quantum computingStefano Battaglia, Max Rossmannek, Vladimir V Rybkin, et al.
Npj Computational Materials|November 20, 2024
High-throughput Density Functional Perturbation Theory and Machine Learning Predictions of Infrared, Piezoelectric and Dielectric ResponsesKamal Choudhary, Kevin F Garrity, Vinit Sharma, et al.
Npj Computational Materials|November 6, 2025
Quantitative theory of magnetic properties of elemental praseodymiumLeonid V Pourovskii, Alena Vishina, Olle Eriksson, et al.
Npj Computational Materials|September 25, 2025
Leveraging unlabeled SEM datasets with self-supervised learning for enhanced particle segmentationLuca Rettenberger, Nathan J Szymanski, Andrea Giunto, et al.
Npj Computational Materials|October 22, 2021
Topological representations of crystalline compounds for the machine-learning prediction of materials propertiesYi Jiang, Dong Chen, Xin Chen, et al.
Npj Computational Materials|November 26, 2021
Systematic Coarse-graining of Epoxy Resins with Machine Learning-Informed Energy RenormalizationAndrea Giuntoli, Nitin K Hansoge, Anton van Beek, et al.
Npj Computational Materials|April 29, 2026
Equivariant electronic Hamiltonian prediction with many-body message passingChen Qian, Valdas Vitartas, James R Kermode, et al.
Npj Computational Materials|May 4, 2026
Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES codeThomas P van Waas, Christophe Berthod, Jan Berges, et al.
Npj Computational Materials|March 16, 2026
Active learning potentials for first-principles phase diagrams using replica-exchange nested samplingNico Unglert, Michael Ketter, Georg K H Madsen
Pageof 10