Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses

Density functional theory calculation of ideal strength of SiC and GaN: Effect of multi-axial stress

(2015) Yoshitaka Umeno et al.   COMPUTATIONAL MATERIALS SCIENCE

First principle investigation of phase transition and thermodynamic properties of SiC

(2015) W.H. Lee et al.   COMPUTATIONAL MATERIALS SCIENCE

From ELF to Compressibility in Solids

(2015) Julia Contreras-García et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Single Layer Molybdenum Disulfide under Direct Out-of-Plane Compression: Low-Stress Band-Gap Engineering

(2015) Miriam Peña-Álvarez et al.   NANO LETTERS

Pressure-Dependent Optical and Vibrational Properties of Monolayer Molybdenum Disulfide

(2014) Avinash P. Nayak et al.   NANO LETTERS

Critic2: A program for real-space analysis of quantum chemical interactions in solids

(2013) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

Microscopic partition of pressure and elastic constants in CdTe polymorphs

(2013) T. Ouahrani et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Local pressures in Zn chalcogenide polymorphs

(2012) T. Ouahrani et al.   EPL

Ionic interactions: Comparative topological approach

(2012) Julia Contreras-García et al.   Computational and Theoretical Chemistry

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab initio DFT study of ideal shear strength of polytypes of silicon carbide

(2008) Y. Umeno et al.   STRENGTH OF MATERIALS