Venue
Sala de Formación, Edificio Annexus. Gran Capità, s/n, Barcelona
Technical training
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27 Apr 2017
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Barcelona
In this presentation Dr. Jacob Gavartin will present an overview and applications of the Schrödinger Materials Science Suite followed by a discussion and hands-on workshop session.
Rapid advancements in quantum theory, computer science and computational power brought about tremendous developments in materials research. Yet the impact of modelling in industrial R&D is somewhat hindered by unclear connection between calculated and experimental parameters, complexity of the calculations and tedious analysis. Towards the resolution of these problems we discuss how a combination of combinatorial chemistry, quantum chemistry and automated calculation workflows provide the basis for rational materials design via virtual screening of materials.
More information in the website of the event.
