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ProfM

Faculty at the University of Cambridge. Creating videos on quantum mechanics on Youtube: "Professor M does Science"

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32 Was Walter Kohn wrong about this? Jun 26
26 How big should a supercell be in phonon calculations? Jul 8
21 Given that Kohn-Sham DFT is strictly a ground-state method (at 0 K), how is it sufficient to describe materials in real-life applications? Jun 9
16 What methods are available for excited state calculations in solids? Jul 19
15 Is the original structure invalid if it's found later that the material crystallises with a slightly different space group symmetry? Jun 9
13 Logic of published geometry optimization results without checking phonons Aug 16
13 What does it mean if a strictly optimized experimental geometry presents imaginary frequencies? Aug 5
13 How to deduce phase transitions from a phonon calculation? Jul 23
13 How to understand time reversal symmetry in graphene Jul 21
13 Ab initio molecular dynamics to check material stability at finite temperature Jul 3
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