Quantcast
Channel: Theory and computation : nature.com subject feeds
Browsing all 2813 articles
Browse latest View live

Scaling deep learning for materials discovery

View Article


An autonomous laboratory for the accelerated synthesis of novel materials

View Article


A lightweight transformer for faster and robust EBSD data collection

View Article

Triplet-mediated spin entanglement between organic radicals: integrating...

View Article

High-throughput ab initio design of atomic interfaces using InterMatch

View Article


Study on microstructure of 42CrMo steel by ultrasonic surface rolling process

View Article

Multi-step nucleation pathway of C-S-H during cement hydration from atomistic...

View Article

Automated classification of big X-ray diffraction data using deep learning...

View Article


Physics-enhanced deep surrogates for partial differential equations

View Article


Coherent and semicoherent α/β interfaces in titanium: structure,...

View Article

Machine-learning-accelerated simulations to enable automatic surface...

View Article

Electronic properties and optical spectra of donor–acceptor conjugated...

View Article

Towards understanding structure–property relations in materials with...

View Article


Atomistic fracture in bcc iron revealed by active learning of Gaussian...

View Article

Effect of alkali metals on physical and spectroscopic properties of cellulose

View Article


Formation energy prediction of crystalline compounds using deep convolutional...

View Article

Inversion study on elastic–plastic material parameters of red sandstone in...

View Article


Tunable ferroelectricity in oxygen-deficient perovskites with Grenier structure

View Article

Enhanced catalytic activity of N-heterocyclic carbene stabilized surface...

View Article

A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn3

View Article
Browsing all 2813 articles
Browse latest View live