Preliminaries 1. Basis Sets 2. Integral Evaluation 3. Numerically intensive steps (Linear and Tensor Algebra) Part I. Key Theories 4. Introductory / Summary of state of the art of valence bond theory 5. Introductory / Summary of state of the art of Molecular Orbital Theory 6. Introductory / Summary of state of the art of Density Functional Theory Carlo Adamo 7.

Introductory / Summary of state of the art of post-Hartree-Fock methods 8. Introductory / Summary of state of the art for focused methods (large systems and solutions) 9. Introductory / Summary of Quantum Computing 10. Introductory / Summary of state to the art of Artificial Intelligence in Theoretical Chemistry and Machine Learning based developments 11. Introductory / Summary of state to the art of beyond the Born-Oppenheimer approximation: Non-adiabatic effects in ET theory. Time-dependent dynamics. Part II: Recent developments and future works 12. Many-body theories 13.

Coupled Clusters 14. Local Correlation, PNO, etc. 15. Multireference methods 16. Excited electronic states 17. Green-function methods 18. Time dependent methods 19. Nuclear-electronic orbital (NEO) methods 20.

Chemical concepts from computations 21. Density functional theory a) More accurate functionals (double-hybrids, explicit correlation, physical constraints) b) Large systems and approximated methods c) Dispersion and van der Waals complexes d) Density matrix e) Static correlation and multi-reference approaches f) Plane-waves, periodic systems and dynamics 22. Relativistic effects 23. Density matrix renormalization group (DMRG) based methods 25. QM-MM and related approaches 26. Machine Learning methods 27. Composite schemes in electronic structure computations 28. Non-equilibrium electronic properties: spin polarization and spin accumulation at interfaces Part III: Applications and case studies 29.

Ground state computations 31. Weakly bonded systems 32. Negative and positive ions and related spectroscopies 33. Rotational and vibrational spectroscopy including chiral molecules spectra 34. Electronic excited states and non-adiabatic effects computations 36. Computations of properties 37. Reaction Mechanisms 38. Gas phase kinetics 39.

Studies in condensed phases 40. Interfaces, confined systems and nanosystems 41. Biomolecules 42. Catalysis (Enzymatic, Homogeneous, Heterogeneous) 43. (Multi-)Potential energy surfaces mapping for spectroscopy and dynamics 44. Anharmonicity and large amplitude motions 45. Gas phase kinetics 46. Studies in condensed phases 47.

Interfaces, confined systems and nanosystems 48. Biomolecules 49. Catalysis (Enzymatic, Homogeneous, Heterogeneous) 50. (Multi-)Potential energy surfaces mapping for spectroscopy and dynamics 51. Anharmonicity and large amplitude motions 52. Energy Decomposition Analyses 53. SAPT (symmetry adapted perturbation theory) 54. Quantum theory of atoms in molecules (QTAIM).