Teaching (Principles and practice) 73 Calculations 31 Density functional theory 23 First principle calculations 22 First principles 22 Learning. Learning strategies 21 human 21 Electronic structure 19 Pareto principle 19 Humans 16 Political structure & processes 12 article 12 Malaysia 10 Energy gap 9 Maximum principle 9 female 9 Density-functional-theory 8 Electronic.structure 8 Electronic properties 7 First-principle study 7 Multiobjective optimization 7 Performance 7 Phonons 7 Proof of principles 7 Teaching aids and devices 7 algorithm 7 human experiment 7 male 7 Principle component analysis 6 Stochastic systems 6