This is the second monograph in the series Mathematical Chemistry Monographs, which is edited by Professor Ivan Gutman (Faculty of Science, University of Kragujevac, Kragujevac, Serbia) and published by the University of Kragujevac. The author of the monograph is the well-known mathematical chemist and member of the International Academy of Mathematical Chemistry Professor Lionello Pogliani (Di...

1Department of Electrical and Electronics Engineering, Department of Physics, Department of Chemistry, and UNAM–National Nanotechnology Research Center, Institute of Materials Science and Nanotechnology, Bilkent University, Ankara, Turkey TR-06800 2 Luminous! Center of Excellence for Semiconductor Lighting and Displays, School of Electrical and Electronic Engineering, School of Physical and Mat...

1 Centre for Mathematical Biology and Ecology, Department of Mathematics, Jadavpur University, Kolkata, West Bengal 700032, India 2Department of Mathematics, Barasat College, Kolkata 700126, India 3 Department of Chemistry, Narula Institute of Technology, Kolkata 700109, India 4Agricultural and Ecological Research Unit, Indian Statistical Institute, 203 B. T. Road, Kolkata 700108, India 5 Depar...

Wayne D. Hutchison, Darren J. Goossens, Andrew J. Studer and Katsuhiko Nishimura School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Canberra, ACT 2600, Australia. Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia. Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights NSW 2234, Aust...

Mikael C. Rechtsman1 and Salvatore Torquato2,3,4,5 1Courant Institute of Mathematical Sciences, 251 Mercer Street, New York, New York 10012, USA 2Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA 3Princeton Center for Theoretical Physics, Princeton, New Jersey 08544, USA 4Program in Applied and Computational Mathematics, Princeton Institute for the Science and Tech...

My research is in the area of applied mathematics with main focus on scientific computing and development of efficient models and numerical algorithms. My work reflects an interplay of rigorous mathematical theory with the complexity of real life phenomena. I have been fortunate to be part of several interdisciplinary projects and gained valuable research experience working with colleagues from...

The subject of the study is discrete mathematical chemistry as a new field knowledge in theoretical chemistry. Particular attention paid to such aspects research as: characteristics stages its development connection with scientific and social problems, their formation features methodology, difference between from chemistry, chemoinformatics digital these sciences traced. object context history....

We present an overview of some works on the models of computational quantum chemistry. We examine issues such as the existence of ground states (both for the electronic structure and the configuration of nuclei), the foundations of the models of the crystalline phase, and the macroscopic limits. We emphasize the connections between the physical modelling, the numerical concerns and the mathemat...

1 Department of Chemistry, Mathematics Unit, ISEL-High Institute of Engineering of Lisbon, rua Conselheiro Emı́dio Navarro 1, 1959-007 Lisbon, Portugal 2 Research Centre in Mathematics and Applications (CIMA), University of Evora, rua Romão Ramalho 59, 7000-671 Evora, Portugal 3 Department of Mathematics, Centre of Mathematical Analysis, Geometry and Dynamical Systems, Instituto Superior Técnico...

S. R. Hassan,1 Sandeep Goyal,1,2 R. Shankar,1 and David Sénéchal3 1The Institute of Mathematical Sciences, C.I.T. Campus, Chennai 600 113, India 2School of Chemistry and physics, University of KwaZulu-Natal, Private Bag X54001, Durban 4000, South Africa 3Départment de Physique and RQMP, Université de Sherbrooke, Sherbrooke, Québec, Canada J1K 2R1 (Received 23 January 2012; revised manuscript re...