mgoli



Personal Websites

Mohammad Goli

Research Scientist
Center for Energy Science and Technology

Professor:  Artem R. Oganov

 

 

  1. M. Goli, S. Shahbazian On the nature of the positronic bond. ChemPhysChem 2019, 20, 831–837, DOI: 10.1002/cphc.201900125.
  2. M. Goli, S. Jalili How intrinsic nuclear nonadiabaticity affects molecular structure, electronic density, and conformational stability: insights from the multicomponent DFT calculations of Mu/H isotopologues. International Journal of Quantum Chemistry 2018, 118, e25758, DOI: 10.1002/qua.25758.
  3. M. Goli, S. Shahbazian Developing effective electronic-only coupled-cluster and Møller–Plesset perturbation theories for the muonic molecules. Physical Chemistry Chemical Physics 2018, 20, 16749–16760, DOI: 10.1039/C8CP02489H.
  4. Rayka, M. Goli, S. Shahbazian Effective electronic-only Kohn–Sham equations for the muonic molecules. Physical Chemistry Chemical Physics 2018, 20, 8802–8811, DOI: 10.1039/C8CP00321A.
  5. Rayka, M. Goli, S. Shahbazian Toward a muon-specific electronic structure theory: effective electronic Hartree–Fock equations for muonic molecules. Physical Chemistry Chemical Physics 2018, 20, 4466–4477, DOI: 10.1039/C7CP07599E.
  6. M. Goli, S. Shahbazian Extending the domain-averaged exchange-correlation energies within the context of the MC-QTAIM: tracing subtle variations induced by isotope substitution. ChemPhysChem 2016, 17, 3875–3880, DOI: 10.1002/cphc.201600986.
  7. M. Goli, S. Shahbazian Muon-substituted malonaldehyde: transforming a transition state into a stable structure by isotope substitution. Chemistry A European Journal 2016, 22, 2525–2531, DOI: 10.1002/chem.201504318.
  8. M. Goli, S. Shahbazian Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals ”alchemical” transformation from a triatomic to a diatomic structure. Physical Chemistry Chemical Physics 2015, 17, 245–255, DOI: 10.1039/C4CP03722G.
  9. M. Goli, S. Shahbazian Topological and AIM analyses beyond the Born–Oppenheimer paradigm: new opportunities. Computational and Theoretical Chemistry 2015, 1053, 96–105, DOI: https://doi.org/10.1016/j.comptc.2014.07.019.
  10. M. Goli, S. Shahbazian Where to place the positive muon in the Periodic Table? Physical Chemistry Chemical Physics 2015, 17, 7023–7037, DOI: 10.1039/C4CP06006G.
  11. M. Goli, S. Shahbazian Deciphering the ”chemical” nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table. Physical Chemistry Chemical Physics 2014, 16, 6602–6613, DOI: 10.1039/C3CP55162H.
  12. M. Goli, S. Shahbazian The two-component quantum theory of atoms in molecules (TC-QTAIM): tensor formulation and its implications. Theoretical Chemistry Accounts 2013, 132, 1362, DOI: 10.1007/s00214- 013- 1362- 8.
  13. M. Goli, S. Shahbazian The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles. Theoretical Chemistry Accounts 2013, 132, 1410, DOI: 10.1007/s00214-013-1410-4.
  14. M. Goli, S. Shahbazian Toward the multi-component quantum theory of atoms in molecules: a variational derivation. Theoretical Chemistry Accounts 2013, 132, 1365, DOI: 10.1007/s00214-013-1365-5.
  15. H. Nataj, E. Mohajerani, H. Nemati, A. Moheghi, M. R. Yazdanbakhsh, M. Goli, A. Mohammadi Studying optical and nonlinear optical properties of synthesized azo dyes doped in polymer and liquid crystal using birefringence and Z- scan techniques. Journal of Applied Polymer Science 2013, 127, 456–462, DOI: 10.1002/app.37702.
  16. M. Goli, S. Shahbazian The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations. Theoretical Chemistry Accounts 2012, 131, 1208, DOI: 10.1007/s00214-012-1208-9.
  17. M. Goli, S. Shahbazian Atoms in molecules: beyond Born–Oppenheimer paradigm. Theoretical Chemistry Accounts 2011, 129, 235–245, DOI: 10.1007/s00214-011-0927-7.
  18. M. Goli, S. Shahbazian The quantum theory of atoms in positronic molecules: a case study on diatomic species. International Journal of Quantum Chemistry 2011, 111, 1982–1998, DOI: 10.1002/qua.22805.
  19. Nasertayoob, M. Goli, S. Shahbazian Toward a regional quantum description of the positronic systems: primary considerations. International Journal of Quantum Chemistry 2011, 111, 1970–1981, DOI: 10.1002/qua.22495.

2010 – 2015 | Ph.D. in Chemistry | Shahid Beheshti University (Iran)
2008 – 2010 | M.Sc. in Chemistry | Shahid Beheshti University (Iran)
2003 – 2008 | B.Sc. in Chemistry | Shahid Beheshti University (Iran)

Ab-initio Quantum Chemistry

Density Functional Theory

Machine Learning

Quantum Theory of Atoms in Molecules