Applied Physics A · 2016 · 40 citations · 22 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryComputational Materials ScienceMachine LearningAb Initio MethodsCarbon NanomaterialsCarbon NanotubesNanotubesNeural NetworksStructure PredictionAtomic Coordinate RefinementComputational NanotechnologyMachine-learned Interatomic PotentialsMaterials Structure PredictionNeural Network ModelingQuantum Chemical ModelingQuantum Chemical Property Prediction
22
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Helical microtubules of graphitic carbon
Sumio Iijima · Nature · 1991 · 42.8K citations
Density Functional Theory of Electronic Structure
W. Kohn, Axel D. Becke, Robert G. Parr · The Journal of Physical Chemistry · 1996 · 3.4K citations
Natural Sciences, Chemistry, Physics +17