Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy Landscapes

Addressing chemical diversity by employing the energy landscape concept

(2010) Martin Jansen et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Molecular Precursor Route to a Metastable Form of Zinc Oxide

(2010) Carlos Lizandara Pueyo et al.   CHEMISTRY OF MATERIALS

Pressure-induced orthorhombic structure of PbS

(2010) Andrzej Grzechnik et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A Raman study of high-pressure phases of lead chalcogenides PbX (X=S, Se, Te)

(2009) Yu. S. Ponosov et al.   HIGH PRESSURE RESEARCH

Prediction, determination and validation of phase diagrams via the global study of energy landscapes

(2009) J. C. Schön et al.   International Journal of Materials Research

The structure and thermodynamic properties of zinc oxide with wurtzite and rocksalt structure under high pressures

(2009) H.Y. Wu et al.   PHYSICA B-CONDENSED MATTER

Structural and electronic properties of ZnO under high pressure

(2008) Shouxin Cui et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Free enthalpy landscape of SrO

(2008) J. C. Schön et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS

From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape

(2008) Sarah L. Price   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure prediction based onab initiosimulated annealing for boron nitride

(2008) K. Doll et al.   PHYSICAL REVIEW B

CuO, ZrO2 and ZnO nanoparticles as antiwear additive in oil lubricants

(2008) A. Hernández Battez et al.   WEAR