Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

Physics & Astronomy

• machine learning 100%
• quantum chemistry 97%
• chemistry 67%
• chemical analysis 45%
• learning 42%
• materials science 42%
• predictions 42%
• molecular structure 41%
• chemical properties 41%
• electronics 40%
• field theory (physics) 39%
• quantum mechanics 36%
• degrees of freedom 31%
• electronic structure 29%
• orbitals 27%
• ground state 26%
• optimization 25%
• molecules 20%

Chemical Compounds

• Quantum Chemistry 85%
• Atomic Orbital 48%
• Chemistry 46%
• Quantum Mechanics 45%
• Electronic Property 32%
• Ground State 31%
• Electronic State 28%
• Molecular Structure 27%
• Molecule 13%

Medicine & Life Sciences

• Machine Learning 89%
• Materials Science 38%
• Deep Learning 36%
• Space Flight 33%
• Molecular Structure 31%
• Mechanics 27%