Theory and computation : nature.com subject feeds

Channel: Theory and computation : nature.com subject feeds

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Interplay between strain and charge in Cu(In,Ga)Se2 flexible photovoltaics

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September 15, 2024, 5:00 pm

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Author Correction: Molecular control via dynamic bonding enables material...

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September 15, 2024, 5:00 pm

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Scalable crystal structure relaxation using an iteration-free deep generative...

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September 16, 2024, 5:00 pm

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Direct visualization of viscous dissipation and wetting ridge geometry on...

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September 16, 2024, 5:00 pm

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Quantum embedding method with transformer neural network quantum states for...

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September 16, 2024, 5:00 pm

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Exploring rare-earth Kitaev magnets by massive-scale computational analysis

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September 17, 2024, 5:00 pm

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Orbital selective commensurate modulations of the local density of states in...

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September 17, 2024, 5:00 pm

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MEPO-ML: a robust graph attention network model for rapid generation of...

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September 17, 2024, 5:00 pm

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Data-driven discovery of dynamics from time-resolved coherent scattering

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September 19, 2024, 5:00 pm

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Computational screening of sodium solid electrolytes through unsupervised...

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September 19, 2024, 5:00 pm

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Size-dependent Curie temperature of Ni nanoparticles from spin-lattice...

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September 23, 2024, 5:00 pm

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Direct evidence for a carbon–carbon one-electron σ-bond

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September 24, 2024, 5:00 pm

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Investigation on the creep mechanism of PA6 films based on quasi point defect...

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September 26, 2024, 5:00 pm

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Evaluating predictive scheme for thermomechanical properties of Si-diamond...

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September 26, 2024, 5:00 pm

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Pattern recognition using spiking antiferromagnetic neurons

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September 26, 2024, 5:00 pm

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High-throughput dataset of impurity adsorption on common catalysts in biomass...

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September 26, 2024, 5:00 pm

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Mapping structure-property relationships in fullerene systems: a...

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September 27, 2024, 5:00 pm

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Machine-learned coarse-grained potentials for particles with anisotropic...

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September 27, 2024, 5:00 pm

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1.5 million materials narratives generated by chatbots

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September 27, 2024, 5:00 pm

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First-principles prediction of high carrier mobility for β-phase MX2N4 (M =...

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September 28, 2024, 5:00 pm

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