Welcome to Twentieth deMon2k Workshop and Tutorials 2020
Bogmallo Beach Resort, Goa
CSIR- National Chemical Laboratory, Pune
About deMon2k and deMonNano
The deMon Developers is an international group of researches dedicated to the development of the software package deMon (density of Montreal) that includes a number of quantum chemistry programs. The software emerged in the 1990’s within the research group of the Prof. (Dr.) Dennis R. Salahub in the University of Montreal. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT, auxiliary density functional theory (ADFT) and Hartree-Fock equations. The particular features of deMon2k are Quantum Mechanics (QM), Molecular Mechanics (MM) and hybrid QM/MM energy models. They can be used for structure and transition state optimization as well BOMD simulations.
For larger scale systems, deMonNano program provides a modern implementation of the density-functional tight-binding (DFTB) approach, including self-consistent charge (SCC), dispersion and polarization corrections, and the treatment of excited states through the DFTB-CI method. Several molecular dynamics approaches such as BOMD, Car-Parrinello, meta-dynamics, path integral and parallel tempering are also available.
Mascot logo for 20th deMon workshop is Ravana.
The Ravana is the most widely known Demon of hindu mythology.
Ravana was a great musician and an excellent veena layer. He was a great scholar in all the six Shashtras (Shadshashtras) and four Vedas (Chaturvedi). Ravana was also a master of all the 64 types of knowledge and arts (Chatushshashthi Kalas). He was a highly learned Brahmin and a great acquirer of power with Tapas (Penance) with which he acquired the title “Brahma” and hence was called as “Raavanabrahma”. He was a great warrior that none can win a fight against him. He even wrote a dozen texts, compiled seven swaras of Samaveda and is said to have composed the great Shiva tandava strotram sung even today. It is this multifaceted talents which made people to believe that he had 10 heads and 20 hands.