title: Computational materials science: Think locally, act globally.
authors.forename: Karin M
authors.initials: KM
authors.lastname: Rabe
mesh_terms: D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D003461:Crystallography / Q000379:methods*; D007854:Lead / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D017601:Oxygen Compounds / Q000737:chemistry; D012680:Sensitivity and Specificity; D012996:Solutions / Q000737:chemistry; D013696:Temperature; D014025:Titanium / Q000737:chemistry*; D015040:Zirconium / Q000737:chemistry*
chemical_list: D017601:Oxygen Compounds; D012996:Solutions; C065536:lead titanate zirconate; D007854:Lead; D015040:Zirconium; D014025:Titanium