Quantcast
Channel: Theory and computation : nature.com subject feeds
Browsing all 2806 articles
Browse latest View live

High-throughput DFT calculations of formation energy, stability and oxygen...

View Article


Robust Bain distortion in the premartensite phase of a platinum-substituted...

View Article


Effect of surface and internal defects on the mechanical properties of...

View Article

One-dimensional Confinement Effect on the Self-assembly of Symmetric H-shaped...

View Article

An efficient and accurate framework for calculating lattice thermal...

View Article


The role of grain boundary scattering in reducing the thermal conductivity of...

View Article

Sliding of coherent twin boundaries

View Article

Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio...

View Article


Vacancy-induced brittle to ductile transition of W-M co-doped Al3Ti (M=Si,...

View Article


Corrigendum: Microscopic origins of the large piezoelectricity of leadfree...

View Article

Interfacial Reactions in the Li/Si diffusion couples: Origin of Anisotropic...

View Article

Harnessing mechanical instabilities at the nanoscale to achieve ultra-low...

View Article

Determining the Quality Factor of Dielectric Ceramic Mixtures with Dielectric...

View Article


Quantifying the Pathway and Predicting Spontaneous Emulsification during...

View Article

Accurate and efficient band gap predictions of metal halide perovskites using...

View Article


Investigation of thermal energy transport interface of hybrid graphene-carbon...

View Article

Design of Reduction Process of SnO2 by CH4 for Efficient Sn Recovery

View Article


The role of π-blocking hydride ligands in a pressure-induced...

View Article

An impending inhibitor useful for the oil and gas production industry: Weight...

View Article

Defect-mediated Rashba engineering for optimizing electrical transport in...

View Article
Browsing all 2806 articles
Browse latest View live


<script src="https://jsc.adskeeper.com/r/s/rssing.com.1596347.js" async> </script>