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npj computational materials

Showing results (21-30 of 91) with videos related to

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Npj Computational Materials|January 30, 2023
Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer statesRuoqi Zhao, Christian P Hettich, Xin Chen, et al.
Npj Computational Materials|November 10, 2025
Elucidating oxide-ion and proton transport in ionic conductors using machine learning potentialsYing Zhou, Sacha Fop, Abbie C Mclaughlin, et al.
Npj Computational Materials|January 12, 2026
Free-energy perturbation in the exchange-correlation space accelerated by machine learning: application to silica polymorphsAxel Forslund, Jong Hyun Jung, Yuji Ikeda, et al.
Npj Computational Materials|November 3, 2025
Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra predictionNitik Bhatia, Patrick Rinke, Ondřej Krejčí
Npj Computational Materials|October 16, 2025
Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar modelElia Stocco, Christian Carbogno, Mariana Rossi
Npj Computational Materials|September 29, 2025
Fast and Fourier features for transfer learning of interatomic potentialsPietro Novelli, Giacomo Meanti, Pedro J Buigues, et al.
Npj Computational Materials|August 15, 2025
Accelerating domain-aware electron microscopy analysis using deep learning models with synthetic data and image-wide confidence scoringM J Lynch, R Jacobs, G A Bruno, et al.
Npj Computational Materials|July 4, 2025
Machine learning and data-driven methods in computational surface and interface scienceLukas Hörmann, Wojciech G Stark, Reinhard J Maurer
Npj Computational Materials|June 24, 2025
NeuralMag: an open-source nodal finite-difference code for inverse micromagneticsC Abert, F Bruckner, A Voronov, et al.
Npj Computational Materials|December 23, 2024
Predicting electronic screening for fast Koopmans spectral functional calculationsYannick Schubert, Sandra Luber, Nicola Marzari, et al.
Pageof 10

Showing results (21-30 of 91) with videos related to

Sort By:
Pageof 10
Npj Computational Materials|January 30, 2023
Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer statesRuoqi Zhao, Christian P Hettich, Xin Chen, et al.
Npj Computational Materials|November 10, 2025
Elucidating oxide-ion and proton transport in ionic conductors using machine learning potentialsYing Zhou, Sacha Fop, Abbie C Mclaughlin, et al.
Npj Computational Materials|January 12, 2026
Free-energy perturbation in the exchange-correlation space accelerated by machine learning: application to silica polymorphsAxel Forslund, Jong Hyun Jung, Yuji Ikeda, et al.
Npj Computational Materials|November 3, 2025
Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra predictionNitik Bhatia, Patrick Rinke, Ondřej Krejčí
Npj Computational Materials|October 16, 2025
Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar modelElia Stocco, Christian Carbogno, Mariana Rossi
Npj Computational Materials|September 29, 2025
Fast and Fourier features for transfer learning of interatomic potentialsPietro Novelli, Giacomo Meanti, Pedro J Buigues, et al.
Npj Computational Materials|August 15, 2025
Accelerating domain-aware electron microscopy analysis using deep learning models with synthetic data and image-wide confidence scoringM J Lynch, R Jacobs, G A Bruno, et al.
Npj Computational Materials|July 4, 2025
Machine learning and data-driven methods in computational surface and interface scienceLukas Hörmann, Wojciech G Stark, Reinhard J Maurer
Npj Computational Materials|June 24, 2025
NeuralMag: an open-source nodal finite-difference code for inverse micromagneticsC Abert, F Bruckner, A Voronov, et al.
Npj Computational Materials|December 23, 2024
Predicting electronic screening for fast Koopmans spectral functional calculationsYannick Schubert, Sandra Luber, Nicola Marzari, et al.
Pageof 10