Density Functional Theory

Advances in Applications
1. Auflage 2018
ISBN: 978-3-11-056675-8
Verlag: De Gruyter

Buch, Englisch, 233 Seiten, Format (B × H): 175 mm x 246 mm, Gewicht: 606 g

DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.

Zielgruppe

Chemists, Physicists, Engineers, Materials Scientists, and Softwa

Autoren/Hrsg.

Ramasami, Ponnadurai

Weitere Mitwirkende

Abdallah, Hassan H.

Alcolea Palafox, Mauricio

Choong, Yee Siew

Chowdhury, Suman

Dejene, Francis Birhanu

Dhar, Namrata

Gulati, Archa

Gümüs, Aysegül

Gümüs, Selçuk

Jadhav, Siddheshwar D.

Jana, Debnarayan

Kakkar, Rita

Kavitha, Helen

Kharkar, Prashant

Kuznetsov, Aleksey

Meyer, Walter E.

Mulwa, Winfred Mueni

Nagaiyan, Sekar

Ouma, Cecil

Parlak, Cemal

Ramasami, Ponnadurai

Rhyman, Lydia

Tursun, Mahir

Fachgebiete

• Mathematik | Informatik Mathematik Numerik und Wissenschaftliches Rechnen Angewandte Mathematik, Mathematische Modelle
• Mathematik | Informatik Mathematik Mathematische Analysis Funktionentheorie, Komplexe Analysis

Über Autor(innen)

Prof Ponnadurai Ramasami, CSci, CChem, FRSC, FICCE, MMast, received his PhD in Physical Chemistry and became full Professor in 2013. He leads the Computational Chemistry Group, Department of Chemistry, Faculty of Science at the University of Mauritius. The research group focuses on the use of computational methods to solve chemistry and interdisciplinary problems. The group is particularly interested to collaborate with experimentalists and try to use computational methods to complement experimental research. He has already published 260 research papers in peer-reviewed journals and he has edited several books. He is the chairman of the annual Virtual Conference on Chemistry and its Applications.