Ab initio modeling: Mechanical and Thermo - Elastic properties : Calcium Carbonates Polymorphs case

ISBN-13: 9783639770254 / Angielski / Miękka / 2019 / 160 str.

Ungureanu Crina Georgeta

Opis

Dr. Ungureanu research activity has involved the study and application of quantum mechanical ab initio calculation techniques. Has extensive experience in the use of the CRYSTAL package, a code developed by the Theoretical Chemistry Group of the University of Torino, together with the Computational Materials Science Group of the Daresbury Laboratory. As a Ph.D. student, She acquire knowledge in the structure of the CRYSTAL code and use it in the Study of different crystalline phases. In this work is presented the ab initio study of Calcium Carbonate Polymorphs.

O autorze

Crina Georgeta, Ungureanu
Dr. Crina Ungureanu graduated in Physics at the University "Alexandru Ioan Cuza, Iasi," Romania on 2005. She received his Ph.D. at the University of Turin, on 2011, with a thesis titled "Ab initio modeling: Mechanical and Thermo - Elastic and thermodynamic properties of Calcium Carbonates Polymorphs".