From the 5 of 161 papers with an AI index.
38 citations
- University of ChicagoUS61 papers
- SLAC National Accelerator LaboratoryUS59 papers
- Lawrence Berkeley National LaboratoryUS57 papers
- University College LondonGB56 papers
- Brookhaven National LaboratoryUS55 papers
- University of OxfordGB55 papers
- Université Paris-SaclayFR54 papers
- Stony Brook UniversityUS53 papers
- Universidad Autónoma de MadridES53 papers
- University of MichiganUS53 papers
- Ludwig-Maximilians-Universität MünchenDE52 papers
- Lancaster UniversityGB51 papers
4 papers · 1 filter
Disorder viscosity correction approach to calculate spinodal temperature and wavelength
Simon Divilov, Hagen Eckert, Nico Hotz +2
Spinodal decomposition, a key mechanism to microstructure formation in materials, has long posed challenges for predictive modeling, due to the need for parameter-free approaches t…
Composition/structure directed search for new chalcogenide compounds
Alon Hever, Ohad Levy, Stefano Curtarolo +1
This work presents a simple scheme for finding new crystalline compounds by adapting structure types from neighbor atoms compounds. The approach is demonstrated for the selenide an…
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening
Jacob Z. Williams, Weitao Yang
Delocalization error prevents density functional theory (DFT) from reaching its full potential, causing problems like systematically underestimated band gaps and misaligned energy…
Predicting cement microstructure and mechanical properties in hydrating cement paste with a Phase-Field model
Alexandre Sac-Morane, Katerina Ioannidou, Manolis Veveakis +1
Predicting the evolving microstructure of hydrating cement is essential for understanding and modeling its mechanical property development. Physics-based continuum approaches offer…