Computational chemistry uses computers to solve chemical problems. It uses theoretical methods implemented in software for computations. At the outset of the 21st Century, computational chemistry is leading to a wide range of possibilities usually interdisciplinary due to explosive increase in computer power and software capabilities. Computational chemistry is also integrating the chemistry curriculum.
The objectives of this workshop are to highlight the latest scientific advances within the broad field of computational chemistry in academia, industry and society.
This workshop will provide the opportunity for researchers coming from corners of the world to be on a single platform for discussion, exchanging ideas and developing collaborations. It will also be a suitable platform for researchers from different fields to meet so that ideas for new interdisciplinary research can emerge.
This will be the eleventh workshop after being successful events in ICCS since 2003.
This workshop will consider only original work and the submissions will be selected after peer reviewing.
The accepted full manuscripts will be published in Procedia Computer Science.
Topics will include aspects of computational chemistry such as (but are not limited to:
(i) Methods: Force fields, semiempirical, ab initio, density functional theory
(ii) Applications: Kinetics, reaction mechanisms, catalysis, molecular properties, conformational analysis, thermodynamics, molecular dynamics
(iii) Research involving computational chemistry
(iv) Computational chemistry in chemical education
(v) Interdisciplinary computational research involving chemistry is specially invited
Faculty of Science
Department of Chemistry
University of Mauritius
Dr Hassan H. Abd Allah, Universiti Teknologi Malaysia, Malaysia
Prof Edet F. Archibong, University of Namibia, Republic of Namibia
Dr Paul Blowers, University of Arizona, USA
Prof Tore Brinck, Physical Chemistry Royal Institute of Technology, Sweden
Prof Ivan Cernusak, Comenius University, Slovakia
Prof Michelle Coote, Australian National University, Australia
Dr Hazel Cox, University of Sussex, UK
Prof John Dyke, University of Southampton, UK
Prof Tony Ford, University of Natal, South Africa
Prof Gernot Frenking, Fachbereich Chemie, Germany
Prof Roald Hoffmann, Cornell University, USA
Prof Rita Kakkar, University of Delhi, India
Dr Hans Peter Lüthi, ETH Zürich, Switzerland
Dr Jane S. Murray, Cleve Theo Comp, USA
Prof Henry F. Schaefer III, University of Georgia, USA
Prof Alfredo Simas, Universidade Federal de Pernambuco, Brazil
Prof Zhigang Shuai, Institute of Chemistry, China
Prof Ajit J. Thakkar, University of New Brunswick Fredericton, Canada
Prof John Z. H. Zhang, New York University, USA
Prof Mark A. Zottola, University of Alabama Birmingham, USA