npj Computational Materials View Homepage


Ontology type: schema:Periodical      Open Access: True


Journal Info

START YEAR

2015

PUBLISHER

Nature Publishing Group UK

LANGUAGE

en

HOMEPAGE

http://www.nature.com/npjcompumats/

Recent publications latest 20 shown

  • 2019-12 Enhancing hydrogen evolution on the basal plane of transition metal dichacolgenide van der Waals heterostructures
  • 2019-12 Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
  • 2019-12 Large piezoelectric response in a family of metal-free perovskite ferroelectric compounds from first-principles calculations
  • 2019-12 Local-environment dependence of stacking fault energies in concentrated solid-solution alloys
  • 2019-12 Bandgap prediction by deep learning in configurationally hybridized graphene and boron nitride
  • 2019-12 Numerical prediction of colloidal phase separation by direct computation of Navier–Stokes equation
  • 2019-12 Noble gas as a functional dopant in ZnO
  • 2019-12 Orbital magneto-optical response of periodic insulators from first principles
  • 2019-12 Identifying Pb-free perovskites for solar cells by machine learning
  • 2019-12 Automated estimation of materials parameter from X-ray absorption and electron energy-loss spectra with similarity measures
  • 2019-12 A new carbon phase with direct bandgap and high carrier mobility as electron transport material for perovskite solar cells
  • 2019-12 First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy
  • 2019-12 Strain engineering of electro-optic constants in ferroelectric materials
  • 2019-12 The role of decomposition reactions in assessing first-principles predictions of solid stability
  • 2019-12 Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3
  • 2019-12 Microphase separation of a miscible binary liquid mixture under confinement at the nanoscale
  • 2019-12 Heavy ion ranges from first-principles electron dynamics
  • 2019-12 Bayesian inference of atomistic structure in functional materials
  • 2019-12 Connection between Mott physics and crystal structure in a series of transition metal binary compounds
  • 2019-12 Unlocking the potential of weberite-type metal fluorides in electrochemical energy storage
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