Sessions

Catalytic Processes for Sustainable Chemical and Fuels

Catalytic Processes for Sustainable Chemical and Fuels

Professor Richard Catlow

October 7, 2021

Achieving sustainability is possibly the greatest global challenge of the 21st Century; and developments in catalytic science will be crucial in meeting this challenge. 

Materials for Quantum Computing: An Interview with Prof. Chris Van de Walle

Materials for Quantum Computing: An Interview with Prof. Chris Van de Walle

Prof. Chris Van de Walle

October 14, 2021

As a leading expert in this field, Prof. Van de Walle will provide answers to key questions concerning the actual status of this technology, the current materials, the obstacles and challenges, and the perspectives for the discovery and optimization of novel materials.

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning

Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning

Professor Georg Kresse

October 20, 2021

Accurate predictions of phase transition temperatures have always been a dream of materials physicists.

Machine Learning and Molecular Dynamics

Machine Learning and Molecular Dynamics

Professor Michelle Parrinello

October 28, 2021

Atomistic simulations based on an atomistic description of matter have become a most important scientific tool of contemporary material science investigations. Yet much remains to be done to extend the scope of these simulations.

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