Ponnadurai Ramasami Livres

Twenty-three carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2014) are featured in this edited book of proceedings. ICPAC 2014, a biennial meeting, was held in Mauritius in June 2014. The theme of the conference was “Crystallizing Ideas: The Role of Chemistry” and it matched the declaration of the year 2014 as the International Year of Crystallography. ICPAC 2014 was attended by 150 participants from 30 countries. The chapters in this book reflect a wide range of fundamental and applied research in chemistry and interdisciplinary subjects. Crystallizing Ideas - The Role of Chemistry is written for graduates, postgraduates, researchers in industry and academia who have an interest in the fields ranging from fundamental to applied chemistry.

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.

Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was „Computational Thinking for the Advancement of Society“ and it matched the paradigm shift in the way we think. VCCS-2016 was attended by 100 participants from 20 countries. The chapters reflect a wide range of fundamental and applied research applying computational methods.