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npj computational materials

Showing results (1-10 of 90) with videos related to

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Npj Computational Materials|March 10, 2025
A machine-learning framework for accelerating spin-lattice relaxation simulationsValerio Briganti, Alessandro Lunghi
Npj Computational Materials|December 9, 2024
Exciton fine structure in twisted transition metal dichalcogenide heterostructuresSudipta Kundu, Tomer Amit, H R Krishnamurthy, et al.
Npj Computational Materials|June 12, 2023
Not yet defect-free: the current landscape for women in computational materials researchLivia B Pártay, Erin G Teich, Rose K Cersonsky
Npj Computational Materials|April 10, 2023
A general-purpose material property data extraction pipeline from large polymer corpora using natural language processingPranav Shetty, Arunkumar Chitteth Rajan, Chris Kuenneth, et al.
Npj Computational Materials|January 9, 2026
MOFSimBench: evaluating universal machine learning interatomic potentials in metal-organic framework molecular modelingHendrik Kraß, Ju Huang, Seyed Mohamad Moosavi
Npj Computational Materials|January 22, 2026
'Interaction annealing' to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe<sub>2</sub>Ruoshi Jiang, Fangyuan Gu, Wei Ku
Npj Computational Materials|July 7, 2025
Data-driven microstructural optimization of Ag-Bi-I perovskite-inspired materialsKshithij Mysore Nandishwara, Shuan Cheng, Pengjun Liu, et al.
Npj Computational Materials|October 27, 2025
Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI<sub>3</sub>Jiongzhi Zheng, Zheng Chang, Changpeng Lin, et al.
Npj Computational Materials|February 16, 2026
Leveraging transfer learning for accurate estimation of ionic migration barriers in solidsReshma Devi, Keith T Butler, Gopalakrishnan Sai Gautam
Npj Computational Materials|February 16, 2026
phaser: a unified and extensible framework for fast electron ptychographyColin Gilgenbach, Menglin Zhu, James M LeBeau
Pageof 9

Showing results (1-10 of 90) with videos related to

Sort By:
Pageof 9
Npj Computational Materials|March 10, 2025
A machine-learning framework for accelerating spin-lattice relaxation simulationsValerio Briganti, Alessandro Lunghi
Npj Computational Materials|December 9, 2024
Exciton fine structure in twisted transition metal dichalcogenide heterostructuresSudipta Kundu, Tomer Amit, H R Krishnamurthy, et al.
Npj Computational Materials|June 12, 2023
Not yet defect-free: the current landscape for women in computational materials researchLivia B Pártay, Erin G Teich, Rose K Cersonsky
Npj Computational Materials|April 10, 2023
A general-purpose material property data extraction pipeline from large polymer corpora using natural language processingPranav Shetty, Arunkumar Chitteth Rajan, Chris Kuenneth, et al.
Npj Computational Materials|January 9, 2026
MOFSimBench: evaluating universal machine learning interatomic potentials in metal-organic framework molecular modelingHendrik Kraß, Ju Huang, Seyed Mohamad Moosavi
Npj Computational Materials|January 22, 2026
'Interaction annealing' to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe<sub>2</sub>Ruoshi Jiang, Fangyuan Gu, Wei Ku
Npj Computational Materials|July 7, 2025
Data-driven microstructural optimization of Ag-Bi-I perovskite-inspired materialsKshithij Mysore Nandishwara, Shuan Cheng, Pengjun Liu, et al.
Npj Computational Materials|October 27, 2025
Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI<sub>3</sub>Jiongzhi Zheng, Zheng Chang, Changpeng Lin, et al.
Npj Computational Materials|February 16, 2026
Leveraging transfer learning for accurate estimation of ionic migration barriers in solidsReshma Devi, Keith T Butler, Gopalakrishnan Sai Gautam
Npj Computational Materials|February 16, 2026
phaser: a unified and extensible framework for fast electron ptychographyColin Gilgenbach, Menglin Zhu, James M LeBeau
Pageof 9