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Seminarium ACMiN:"Current trends in how computational materials science is used in industrial R&D"
Czwartek, 5. Listopad 2020, 14:00 - 16:00

Uprzejmie zapraszamy na Seminarium ACMiN online, które odbędzie się w czwartek 5 listopada 2020 r. o godz. 14:00. W spotkaniu można uczestniczyć poprzez poniższy link:


Seminarium pt. "Current trends in how computational materials science is used in industrial R&D" wygłosi Dr Simon D. Elliott (Schrodinger, New York, USA)


We are living through a revolution in the generation, processing and availability of information.  It is therefore interesting to ask how the information revolution is changing the way we do scientific research.  In this talk we will look at some examples in the area of materials science R&D in industry.  As examples we present the design of organic semiconductors for LED displays, large-scale simulations of commercially-relevant polymer properties and precursor chemicals for thin film deposition in the semiconductor industry.  Data from quantum mechanics or molecular mechanics simulations can be fed into machine learning algorithms and applied to large datasets.  We also look at how experience from the pharmaceutical sector can be applied in materials science.  These stories illustrate how computational science is moving to a new level of scale and power, where large quantities of data are being automatically generated, analyzed and validated.  This is possible by bringing together physics-based simulations, machine learning and data informatics into an integrated research platform.