Division of Organic Chemistry, Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza 112, Łódź 90-363, Poland The Bio-Med-Chem Doctoral School of the University of ...
Ames National Laboratory, Division of Materials Science and Engineering, Ames, Iowa 50011, United States Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States Department of ...
The principle of structure-property relationship refers to an understanding of the microstructure of a solid, that is, the nature of the bonds between atoms and the spatial arrangement of atoms, which ...
Molecular dynamics is a method that uses Newton’s equations of motion to computationally simulate the time evolution of a set of interacting atoms. Such techniques are dependent on a description ...