Materials Discovery by Computation – a Revolution Still in the Making
by Rich Brueckner from High-Performance Computing News Analysis | insideHPC on (#CE2V)
"We will describe recent progress and successes obtained in predicting properties of matter by quantum simulations, and discuss algorithmic challenges in connection with the use of evolving high-performance computing architectures. We will also discuss open issues related to the validation of the approximate, first principles theories used in large-scale quantum simulations."
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