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Background

DeMon is a system of programs for density functional theory (DFT) calculations of primarily molecules, but they may also be used for atoms and a version exists for solids. The first widely available version of deMon appeared in 1992. DeMon stands for density of Montreal." The unusual capitalisation emphasizes the roots of the code at the University of Montreal (UdM) simultaneously by its implicit separation into two words [de Montreal] and by its resemblence to the main edifice of UdM with its tall central tower. The workshop has served to promote the exchange of information favoring scientific collaborations, new developments and applications in systems of increasing complexity and of technological interest.

Quantum chemistry is an important branch of theoretical chemistry. With the improvement of the computer’s function, the hyper growth of the quantum chemistry is making profound changes in the research of the quantum and the chemistry. The meeting will focus on several topics for discussion, such as the theory and computational methods of the quantum chemistry, the electronic structure and the Spectrum learn calculation of molecules, clusters, solids, etc., the catalytic reaction mechanism, the theoretical study of the molecular excited state and photochemical reaction mechanism, the relationship and the theoretical design of the structure and properties of various kinds of materials, the theory and the application of reaction kinetics and the applications of the quantum chemistry and molecular simulation in fields as organisms, environment and source of energy and so on and so forth.

In 2016, the deMon developers workshop and International Workshop on Computer-aided drug design, Molecular dynamics simulation, and Soft material and nano-material simulation and design will be held in Zhengzhou.