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Michael Burlakov posted this:
Scientist at Private person

Now, we have with you the all chances to create a unique company for implementing worldwide of a new science-intensive technology with many applications (see below). I invite you to participate in realization of this ambitious project in any capacity. Agree that far from often appears a new production company, when at the time of its creation becomes clear that it has all chances to become a world leader in its future activity. This is possible, obviously, only in the case that the basis for the activities of such a company will be the unique science-intensive know-how, the implementation package of which already exists. This is the case here for your consideration. The author of this letter (further - the author) recently completed his years-long work on the information-software package of materials (ISPM) on implementing a new science-intensive network technology with many applications called "Information technology of automation of control of discrete technological and information processes (IT AC DTIP)", the founder of which he is. With the presentation of both the technology itself and the ISPM for its implementation, you can familiarize here: https://www.slideshare.net/michael_burlakov/presentation-of-it-ac-dtip . More detailed information on this project you can learn from two English-Russian sites of the author:"Promotion Center of IT AC DTIP" (http://dtip-burlakov.com/en) and "Implementation Center of IT AC DTIP" (http://dtip-optim.com/en/main). I would like to draw your attention to the fact that this ISPM includes 11 multilingual optimizing software tools in the ordinary and network performances that allow to provide international network outsourcing services on optimal controlling the discrete processes for many purposes. So, for practical implementation of this technology, there are not required at all the financial investments for working out necessary for this means, since the latter ones already exist.
Information technology of automation of control of discrete technological and information processes (IT AC DTIP)

xrqtc posted this:

Current polymorphism studies are being carried out using one of the following three alternatives: atom-atom potentials, DFT (Density Functional Theory) calculations and ad-hoc potentials. However, all of them have serious disadvantatges. 1) with software that uses atom-atom potentials: Advantages: fast and capable of working with large molecules. Disadvantages: the "blind tests" carried out by the "Cambridge Crystallographic Data Centre" are giving a 50% maximum success in the predictions. 2) with software based on DFT calculations: Advantages: good results Disadvantages: they are computationally very slow, so they are only used for very simple molecules compared with drug molecules. In addition, they have errors predicting van der Waals interactions and weak hydrogen bridges if not corrected empirically. 3) with software using ad hoc potentials for each molecule obtained from systematic exploration of the surface potential of intermolecular interactions: Advantages: efficient and faster. Disadvantages: some potentials should be calculated for each molecule studied, which are complex and slow, and is not general. The approach presented here is new and unique because the potential Pixel has never been used before for drawing polymorphic predictions and it has shown to present the advantages of all the alternatives combined. This is the first research group which has brought the potential Pixel to this level of calculation. The potential calculations and the applicability of the methode based on pixels have the same quality that the sophisticated ab initio based potential calculations. Besides, this is much faster than DFT (Functional-Based Theory)-based and ad hoc potentials ..