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Showing posts from October, 2012

Accelrys Adds Another Scientific Software Company to Its Portfolio

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Courtesy Xconomy After merging with Symyx Technologies in 2010, acquiring Contur Sofware in 2011, and buying VelQuest earlier this year, San Diego scientific software developer Accelrys says today it is buying Aegis Analytical. Accelrys is paying $30 million in cash for Aegis, a company based in Lafayette, CO, (near Boulder) that makes software used to monitor biotech product development and manufacturing processes. In a  statement  today, Accelrys says the deal helps to further expand its suite of software used to manage the life cycle of innovation among pharmaceutical companies and in other industries. Aegis has about 40 full-time and contract employees, and “the idea is to keep the business in Boulder and fairly intact,” Accelrys CFO Michael Piraino told me during a phone interview earlier this afternoon. Aegis CEO Robert Di Scipio will stay with the merged company through the transition to new ownership. About two-thirds of Acce...

Data manager in computational material science

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wwwtilda Data manager in computational material science Introduction Tilde (wwwtilda, ~) is a data manager in cheminformatics and computational material science. The nowadays situation in these disciplines with a plenty of incompatible data formats is rather confusing. Furthermore a new approach to the scientific data verification and exchange is desired because the traditional peer-reviewed journals and their supplementary materials sections do not solve this task properly. Therefore Tilde aims to simplify data processing and exchanging for the scientists, dealing with popular computer simulation packages in material science (e.g.  VASP ,  CRYSTAL ,  WIEN2K  etc). Now the text outputs of these programs can be collected, and the calculated results therein can be visualized. The example focus is on phonon properties of the crystalline materials: vibrational spectra, band structures, densities of states, vibrational patterns visualization etc. Moreover Ti...