To see a world in a grain of sand

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Date 31.10.2012
Hour 17:15
Speaker Prof. Nicola Marzari
Location
CO1
Category Conferences - Seminars
Computer simulations based on quantum mechanics can be a powerful and predictive tool for understanding, predicting, and designing the properties of novel and advanced materials, and are destined to radically transform and accelerate invention and discovery in both science and technology. I will highlight the remarkable strengths and weaknesses of this field, its current status, and the outlook for the future, using examples drawn from our own research here at EPFL. I’ll focus on applications to energy and nanotechnology, discussing how we plan to move forward beyond the state-of-the-art in materials modelling, currently represented by density-functional theory; how we can use first-principles simulations to characterize and engineer the properties of complex materials and devices from the atomic scale up to the real world; and how we can integrate these activities into a high-throughput materials’ informatics platform capable of organizing, driving, and sharing the entire research efforts of our laboratory or of larger networks of laboratories.

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  • General public
  • Free

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