• B.Sc. in Chemistry, 1997, Universidad del Valle, Cali, Colombia

• Ph.D. in Chemistry, 2003,  University of Florida, Gainesville, USA

• Postdoc, 2003-2005, Penn State University, University Park, USA

• Associate Professor of Chemistry, 2005-2013, Universidad Nacional de Colombia, Bogotá

• Professor of Chemistry, 2013-  Universidad Nacional de Colombia, Bogotá

• Visiting Professor, 2013-2014, Institute of Physics, University of São Paulo, São Paulo, Brazil

PUBLICATIONS

72. L. Rincon, C. Beltrán, C. Zambrano, A. Barrios, A. Reyes, F.J Torres, On the interplay between the nuclear-nuclear repulsion and the electronic components of the reaction force., JCTC, Submitted (2025)

71. L. Martins, M. Bergami, J. Charry, A. Reyes, K. Coutinho, M. Varella, Positronium atoms solvated in liquid alcohols: a Multicomponent Quantum Mechanics/Molecular Mechanics Approach, J. Phys.Chem. B, Submitted (2025)

70. R. Porras-Roldan, J. Charry, F. Moncada, R. Flores-Moreno, M.T. do N. Varella, A. Reyes, Watch out electrons!: Positron Binding Redefines Chemical Bonding in Be2, Chem. Sci. Aceepted (2025)

69. I.S. Beltran-Orta, J.R. Valdez-Ruvalcaba, M. Mendez, J.A. Flores-Ramos, P.D. Astudillo-Sanchez, A. Reyes, R. Flores-Moreno, Analytic calculation of nuclear Fukui functions with Auxiliary Density Perturbation Theory, Comput. Theor. Chem. 1253, 115387 (2025)

68. L. Rincón, W.M. Rodríguez, J.R. Mora, C. Zambrano, L.E. Seijas, A. Reyes, F.J. Torres, A redefinition of global conceptual density functional theory reactivity indexes by means of the cubic expansions of the energy, PCCP, 27, 8174 (2025)

67. F. Moncada, A. Reyes, L.G.M. Pettersson, Restoring rotational symmetry of multicomponent wavefunctions with nuclear orbitals, J. Chem. Phys. 162, 024110 (2025)

66. M. Bergami, J. Charry, A. Reyes, K. Coutinho, MT do N. Varella, Does positron attachment take place in water solution?, J. Phys. Chem B, 128, 10178 (2024)

65. D. Archila, F. Moncada, J. Charry, MT do N. Varella, R. Flores-Moreno, F.J. Torres, A. Reyes, Two-positron-bonded dihalides: Ps2XY (X,Y=F,Cl,Br), Chem. Eur. J., 30, e202402618 (2024)

64. R. Porras-Roldan, F. Moncada, J. Charry, MT do N. Varella, R. Flores-Moreno, A. Reyes, Electron superhalogens as positronium superhalogens, PCCP, 26, 18881 (2024)

63. F. Moncada, W. Quintero, E. Posada, L.G.M. Pettersson, A. Reyes, A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho- and para-3He2@C60, ChemPhysChem. 25, e202300498 (2024)

62. R.D. Guerrero, A. Reyes, Optimizing Quantum Control Pulses with Gaussian Process Priors: The

Spectral Way, J. Phys. Chem. A 127, 29 61236134 (2023)

61. F. Moncada, A. Reyes, Multicomponent Wavefunction-in-DFT Embedding For Positronium Molecules, J. Chem. Phys. 158, 134101 (2023)

60. J. Charry, F. Moncada, M. Barborini, L. Pedraza-González, MT do N. Varella, A. Tkatchenko, A. Reyes, The three-center two-positron bond, Chem. Sci. 13, 13795 (2022)

59. M. Bergami, ALD Santana, J. Charry, A. Reyes, K. Coutinho, MT do N. Varella, Multicomponent

Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium, J. Phys. Chem. B 126,

2699 (2022)

58. F. Moncada, L. Pedraza-González, J. Charry, MT do N. Varella, A. Reyes, Covalent bonds in positron dihalides, Chem. Sci. 11, 44 (2020)

57. J. M. Rodas, J. F. Galindo, A. Roitberg, A. Reyes, The any particle molecular orbital and quantum mechanics/molecular mechanics approach: Efficient computation of proton binding energies and affinities, J. Mol. Model. 25, 316 (2019)

56. F. Moncada, J. Charry and A. Reyes, The Any Particle Molecular Orbital approach: A short review of the theory and applications, Int. J. Quant. Chem. 119, e2570 (2019)

55. J. Charry and M.T. Varella and A. Reyes, Binding matter with antimatter: The covalent positron bond, Angew. Chem. Int. Ed. 57, 8859 (2018)

54. E. Posada and A. Reyes, The Any Particle Molecular Orbital Grid-based Hartree-Fock (APMO-GBHF) Approach, J. Chem. Phys. 118, 084113 (2018)

53. L. Pedraza-González, J.A. Charry, W. Quintero, J. Alí-Torres, A. Reyes, Fast and accurate prediction of proton affinities: revisiting the extended Koopmans theorem for protons, Phys. Chem. Chem. Phys. 19, 25324 (2017)

52. J. Charry, L. Pedraza-González, A. Reyes, On the physical interpretation of the nuclear molecular orbital energy, J. Chem. Phys. 146, 214103 (2017)

51. F.S. Moncada, R. Flores-Moreno, A. Reyes, Theoretical calculation of polarizability isotope effects, J. Mol. Model., 23, 90 (2017)

50. L. Pedraza-González, J. Galindo, R. González and A. Reyes, Revisiting the solvent effect on the nucleophile and leaving group of prototypical backside SN 2 reactions: a reaction force and atomic contribution analysis, J. Phys. Chem. A, 120, 8360 (2016)

49. Y. Tsukamoto, Y. Ikabata, J. Romero, A. Reyes, and H. Nakai, Divide-and-Conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies, Phys. Chem. Chem. Phys., 18, 27422 (2016)

48. L. Pedraza-González, J. Romero, J. Alí-Torres and A. Reyes, Prediction of proton affinities of organic molecules with the any-particle molecular-orbital second-order proton propagator approach, Phys. Chem. Chem. Phys., 18, 27185 (2016)

47. R. D. Guerrero, C. A. Arango, A. Reyes, Analytical optimal pulse shapes obtained with the aid of genetic algorithms: controlling the photoisomerization yield of retinal, J. Chem. Phys., 145, 031101 (2016)

46. R. D. Guerrero, C. A. Arango, A. Reyes, Analytical optimal pulse shapes obtained with the aid of genetic algorithms, J. Chem. Phys, 143, 124108 (2015)

45. E. Posada, F. S. Moncada, A. Reyes, Negative muon chemistry: The quantum muon effect and the

finite nuclear mass effect, J. Phys. Chem. A, 118, 9491 (2014)

44. J. Romero, J. Charry, R. Flores-Moreno, MT do N. Varella, A. Reyes, Calculation of positron binding energies using the generalized any particle propagator theory, J. Chem. Phys., 141, 114103 (2014)

43. J. Charry, J. Romero, MT do N. Varella, A. Reyes, Positron binding energies of amino acids with the generalized any particle propagator method, Phys. Rev. A, 89, 052709 (2014)

42. S. Pan, D. Moreno, J. L. Cabellos, J. Romero, A. Reyes, G. Merino, P. K. Chattaraj, In quest of strong Be-Ng bonds among the neutral Ng-Be complexes, J. Phys. Chem. A, 118, 487 (2014)

41. H. J. Bohórquez, A. Reyes, The atomic Pauli energy grows exponentially with the electronic localization, Mol. Phys., 112, 416 (2014)

40. J. Romero, A. Restrepo, A. Reyes, Solvent isotope effects on the hydration of alkaline cations: H/D secondary isotope effects on electrostatic interactions, Mol. Phys., 112, 518 (2014)

39. R. D. Guerrero, C. A. Arango, A. Reyes, Optimal control of wave-packets: a semiclassical approach, Mol. Phys., 112, 408 (2014)

38. J. Romero, J. Charry, H. Nakai, A. Reyes, Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique, Chem. Phys. Lett., 591, 82 (2014)

37. R. Fernandez-Maestre, A. Reyes, H. H. Hill, Explaining the drift behavior of caffeine and glucosamine after addition of ethyl lactate in the buffer gas of an ion mobility spectrometer, Bull. Korean Chem. Soc., 35, 1023 (2014)

36. R. Flores-Moreno, E. F. Posada, F. S. Moncada, J. Romero, J. Charry, M. A. Díaz-Tinoco, S. A. González, N. F. Aguirre, A. Reyes, LOWDIN: The Any Particle Molecular Orbital Code, Int. J. Quant. Chem., 114, 50 (2014)

35. S. Pan, S. Jalife, J. Romero, A. Reyes, G. Merino, and P. K. ChattaraJ. Attractive Xe-Li interaction in Li-decorated clusters, Comp. Theor. Chem, 1021, 62 (2013)

34. A. Reyes, P. A. Cuervo, F. Orozco, R. Abonia, M. Duque-Norena, P. Perez, E. Chamorro, Theoretical investigation of the selectivity in intramolecular cyclizations of some 2’-aminochalcones to dihydroquinolin-8-ones and indolin-3-ones, J. Mol. Mod., 19, 3611 (2013)

33. M. Díaz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes, R. Flores-Moreno. A generalized any particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator, J. Chem. Phys., 138, 194108 (2013)

32. N. F. Aguirre, E.F. Posada, P. Villareal, G. Delgado-Barrio, M. Biczysko, A. Mitrushchenkov, A. Reyes, M.P. de Lara-Castells, Including nuclear quantum effects into highly correlated electronic structure calculations, J. Chem. Phys., 138, 184113 (2013)

31. F. S. Moncada, S. D. Cruz, A. Reyes, Electronic properties of atoms and molecules containing one and two negative muons, Chem. Phys. Lett., 570, 16 (2013)

30. F. Moncada, L. Uribe. J. Romero, A. Reyes, Hydrogen isotope effects on covalent and noncovalent interactions: the case of protonated rare gas clusters, Int. J. Quant. Chem., 113, 1556 (2013)

29. K. Pineda-Urbina, R. D. Guerrero, A. Reyes, Z. Gomez-Sandoval, R. Flores-Moreno, Shape entropy’s response to molecular ionization, J. Mol. Mod., 19, 1677 (2013)

28. J. González, E. Florez, J. Romero, A. Reyes, A. Restrepo, Microsolvation of Mg2+, Ca2+: strong influence of formal charges in hydrogen bonding networks, J. Mol. Mod., 19, 1763 (2013)

27. S. Pan, M. Contreras, J. Romero, A. Reyes, G. Merino, P. K. Chattaraj, C5Li+7 and O2Li +5 as noble gas trapping agents, Chem. Eur. J. , 19, 2322 (2013)

26. N. Nuñez, A. Reyes, R. Quevedo, Hydrogen bond assisted synthesis of azacyclophanes from L-tyrosine derivatives, Tetrahedron Lett., 53, 530 (2012)

25. F. Moncada, R. Flores, A. Reyes, Non-Born-Oppenheimer density functional theory calculations with cubic scaling, Chem. Phys., 400, 103 (2012)

24. F. Moncada, D. Cruz, A. Reyes, Muonic alchemy: Transmuting elements with the inclusion of negative muons, Chem. Phys. Lett., 539-540, 209 (2012)

23. J. Romero, E. Posada, R. Flores-Moreno, A. Reyes, A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations, J. Chem. Phys., 137, 074105 (2012)

22. D. V. Moreno, S. A. González, A. Reyes, Turning symmetric an asymmetric hydrogen bond with the inclusion of nuclear quantum effects, J. Chem. Phys., 134, 024115 (2011)

21. E. F. Posada, F. Moncada, A. Reyes, Optimización del paquete computacional para el cálculo de estructura núcleo-electrónica APMO, Rev. Colomb. Quim., 40, 35 (2011)

20. J. Romero, A. Reyes, J. David, A. Restrepo, Understanding microsolvation of Li+: Structural and energetical analyses, Phys. Chem. Chem. Phys., 13, 15624 (2011)

19. R. Quevedo, I. Ortiz and A. Reyes, Synthesis and conformational analysis of Azacyclophanes from L-Tyrosine, Tetrahedron Lett., 51, 1216 (2010)

18. S. A. González, A. Reyes, Hydrogen isotope effects on the He2H+ complex using the APMO-MP2

method, Int. J. Quant. Chem., 110, 689 (2010)

17. F. Moncada, S. A. González, A. Reyes, First principles investigation of hydrogen isotope effects in (XSO4-H-SO4X)− (X = H, K) complexes, Mol. Phys., 108, 1545 (2010)

16. D. V. Moreno, S. A. González and A. Reyes, Secondary hydrogen isotope effects on the structure and stability of cation-π complexes (Cation = Li+, Na+, K+ and π = Acetylene, Ethylene, Benzene), J. Phys. Chem. A, 114, 9231 (2010)

15. J. Romero, A. Reyes and J. Wist, Secondary deuterium isotope effects on the acidity of glycine, Spectrochim. Acta. Part A, 77, 845 (2010)

14. A. Rivera, D. Moyano, M. Maldonado, J. Ríos-Motta, A. Reyes, FTIR and DFT studies of the proton affinity of small aminal cages, Spectrochim. Acta, Part A, 74, 588 (2009)

13. S. A. González, A. Reyes, Implementación del método del gradiente analítico de la energía en al teoría del orbital molecular nuclear y electrónico, Rev. Colom. Quim., 38, 117 (2009)

12. N. Forero, S. A. González, A. Reyes, Estudio teórico del efecto isotópico de hidrógeno en el aducto borano-carbonilo, Rev. Colom. Quim., 38, 135 (2009)

11. I. Ortiz, S. A. González, A. Reyes, Estudio del efecto de isótopo de hidrógeno en los complejos MH · · ·HF (M: Li, Na), Rev. Colom. Quim., 38, 143 (2009)

10. S. A. González, N. F. Aguirre, A. Reyes, APMO: A computer program based on the electronic and non-electronic molecular orbital theory for studies of nuclear quantum effects, Rev. Colomb. Quim., 37, 93 (2008)

9. S. A. González, N. F. Aguirre, A. Reyes, Theoretical investigation of isotope effects: The Any-Particle Molecular Orbital code, Int. J. Quant. Chem., 108, 1742 (2008)

8. G. A. Parada, D. Fernández, A. Reyes, M. F. Suárez and L. Fadini, Síntesis y estudio teórico DFT de compuestos de Ru(II) con ligantes ferrocenílicos para aplicaciones electroquímicas, Rev. Colomb. Quim., 36, 186 (2007)

7. A. B. Pacheco, B. Thorndyke, A. Reyes, and D. A. Micha, Quantum dynamics of an excited alkali atom in a noble gas cluster: lithium attached to a helium cluster, J. Chem. Phys., 127, 244504 (2007)

6. A. B. Pacheco, A. Reyes, D. A. Micha, First principles dynamics of light emission in alkali atom-noble gas atom collisions at 10keV, J. Chem. Phys., 125, 154313 (2006)

5. A. B. Pacheco, A. Reyes, D. A. Micha, First principles dynamics of light emission and absorption during alkali atom - noble gas atom interactions, Phys. Rev. A, 74, 062714 (2006)

4. A. Reyes, M. V. Pak, and S. Hammes-Schiffer, Investigation of isotope effects with the nuclear-electronic orbital method, J. Chem. Phys., 123, 014303 (2005)

3. A. Reyes, and D. A. Micha, Dynamics of electronic excitation in collisions of alkali atoms with noble-gas atoms using atomic core potentials, J. Chem. Phys., 119, 12308 (2003)

2. A. Reyes, and D. A. Micha, Dynamics of spin-orbit recoupling in collisions of alkali atoms with noble-gas atoms using atomic core potentials, J. Chem. Phys., 119, 12316 (2003)

1. A. Reyes, D. A. Micha, and K. Runge, First principles dynamics of Li+He collisional excitation using atomic core potentials, Chem. Phys. Lett., 363, 441 (2002)