Computation theory 93 Density functional theory 19 human 9 Computational methods 8 Computational modelling 8 Computer circuits 8 Humans 7 Electronic structure 6 Computational fluid dynamics 5 Learning systems 5 Machine learning 5 Artificial intelligence 4 Calculations 4 Computational model 4 Data handling 4 Decision making 4 Deep learning 4 Density-functional-theory 4 Electronic structure theory 4 Energy utilization 4 Students 4 article 4 biological model 4 3D modeling 3 Ab initio electronic structure methods 3 Blockchain 3 Blood pressure 3 Cloud computing 3 Cloud-computing 3 Complex networks 3