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MSE Department Seminar

First-Principles Materials Prediction: from Sustainability to Quantum Information Science

Materials prediction is the ultimate solution for ending blind experimental search within an
expansive material parameter space. First-principles theory entirely based on quantum mechanics
without prior input parameters is the perfect tool for new material design. In order to predict exotic
quantum materials and out-of-equilibrium processes, many-body physics and quantum kinetic theory are
needed to bridge with first-principles methods.

The Hidden Orders in Disordered Materials: Expedition in Potential Energy Landscape

Glasses, as a disordered and non-equilibrium material system, do not have well-defined topological defects such as dislocations and grain boundaries.  For this reason glasses have many promising physical, chemical and mechanical properties in comparison to their crystalline counterparts, making them attractive for a wide range of applications. However, also due to the lack of order and disappearance of lattice periodicity, building a valid structures-properties relationship in glasses has been a longstanding challenge.

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