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npj computational materials

Showing results (11-20 of 91) with videos related to

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Npj Computational Materials|June 16, 2025
High-throughput alloy and process design for metal additive manufacturingSofia Sheikh, Brent Vela, Pejman Honarmandi, et al.
Npj Computational Materials|March 16, 2026
Efficient and accurate spatial mixing of machine learned interatomic potentials for materials scienceFraser Birks, Matthew Nutter, Thomas D Swinburne, et al.
Npj Computational Materials|February 20, 2026
Origin of the insulating phase and metal-insulator transition in the organic molecular solid <i>κ</i>-(BEDT-TTF)<sub>2</sub>Cu<sub>2</sub>(CN)<sub>3</sub>Dongbin Shin, Fabijan Pavošević, Nicolas Tancogne-Dejean, et al.
Npj Computational Materials|April 2, 2026
Deep learning generative model for conditional crystal structure prediction of sodium amideRongfeng Guan, Ang Liu, Yang Song
Npj Computational Materials|April 26, 2024
Thermal conductivity of glasses: first-principles theory and applicationsMichele Simoncelli, Francesco Mauri, Nicola Marzari
Npj Computational Materials|April 21, 2025
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionalsLuca Binci, Nicola Marzari, Iurii Timrov
Npj Computational Materials|March 31, 2025
Development of an atomic cluster expansion potential for iron and its oxidesBaptiste Bienvenu, Mira Todorova, Jörg Neugebauer, et al.
Npj Computational Materials|May 29, 2025
Scalable machine learning approach to light induced order disorder phase transitions with ab initio accuracyAndrea Corradini, Giovanni Marini, Matteo Calandra
Npj Computational Materials|June 9, 2025
Unveiling hydrogen chemical states in supersaturated amorphous alumina via machine learning-driven atomistic modelingSimon Gramatte, Olivier Politano, Noel Jakse, et al.
Npj Computational Materials|January 22, 2026
Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesiumVincent G Fletcher, Albert P Bartók, Livia B Pártay
Pageof 10

Showing results (11-20 of 91) with videos related to

Sort By:
Pageof 10
Npj Computational Materials|June 16, 2025
High-throughput alloy and process design for metal additive manufacturingSofia Sheikh, Brent Vela, Pejman Honarmandi, et al.
Npj Computational Materials|March 16, 2026
Efficient and accurate spatial mixing of machine learned interatomic potentials for materials scienceFraser Birks, Matthew Nutter, Thomas D Swinburne, et al.
Npj Computational Materials|February 20, 2026
Origin of the insulating phase and metal-insulator transition in the organic molecular solid <i>κ</i>-(BEDT-TTF)<sub>2</sub>Cu<sub>2</sub>(CN)<sub>3</sub>Dongbin Shin, Fabijan Pavošević, Nicolas Tancogne-Dejean, et al.
Npj Computational Materials|April 2, 2026
Deep learning generative model for conditional crystal structure prediction of sodium amideRongfeng Guan, Ang Liu, Yang Song
Npj Computational Materials|April 26, 2024
Thermal conductivity of glasses: first-principles theory and applicationsMichele Simoncelli, Francesco Mauri, Nicola Marzari
Npj Computational Materials|April 21, 2025
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionalsLuca Binci, Nicola Marzari, Iurii Timrov
Npj Computational Materials|March 31, 2025
Development of an atomic cluster expansion potential for iron and its oxidesBaptiste Bienvenu, Mira Todorova, Jörg Neugebauer, et al.
Npj Computational Materials|May 29, 2025
Scalable machine learning approach to light induced order disorder phase transitions with ab initio accuracyAndrea Corradini, Giovanni Marini, Matteo Calandra
Npj Computational Materials|June 9, 2025
Unveiling hydrogen chemical states in supersaturated amorphous alumina via machine learning-driven atomistic modelingSimon Gramatte, Olivier Politano, Noel Jakse, et al.
Npj Computational Materials|January 22, 2026
Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesiumVincent G Fletcher, Albert P Bartók, Livia B Pártay
Pageof 10