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How reliable are modern computational predictions?

Thursday 23 June 2016, 2.00PM to 3:00pm

Speaker(s): Dr David Tew, University of Bristol

After a broad introduction to computational modelling approaches spanning several orders of magnitude in length- and time-scales, I will discuss current challenges and successes of modern electronic structure theory. In particular, I will describe the recent breakthroughs in ab initio methods that make it possible to perform highly accurate, predictive simulations on complex systems with 100s of atoms.

Location: C/F106