Vincent Vangelista, Karl Amjad-Ali, Minhyeok Kwon, and Paulo H. Acioli , " Effects of randomization of characteristic times on spiral wave generation in a discrete excitable medium", AIP Advances 10(8), 085116 (2020)

Paulo H Acioli, "Predicting the Photoelectron Spectrum of Quasi Octahedral Al₆Mo^- Cluster", ChemistryOpen 9, 545-549 (2020)

P. H. Acioli and J. Jellinek, "Theoretical Analysis of Photoelectron Spectra of Pure and Mixed Metal Clusters: Disentangling Size, Structure and Composition Effects", J. Chem. Phys. C 121, 16665-16672 (2017).

W. F. Cunha, P. H. Acioli, P. H. Oliveira Neto, R. Gargano, and G. M. e Silva Polaron Properties in Armchair Graphene Nanoribbons, J. Phys. Chem. A 120(27), 4893-4900 (2016)

P. H. Oliveira Neto, Demétrio A. da Silva Filho, W. F. Cunha, P. H. Acioli, and G. M. E Silva, The Limit of Exciton Diffusion in Highly Ordered π-Conjugated Systems , J. Phys. Chem. C 119,19654 (2015)

P. H. Acioli, and S. Srinivas, "Experiential Learning of Classical Mechanic Through Molecular Dynamics", Proceedings of the World Conference in Physics Education 2012, Istambul, Turkey (2012).

P. J. Dolan Jr., "But is it GOOD FOR anything?", The Physics Teacher 49, 324 (2011).

C. W. Smith, and P. J. Dolan Jr., "Determining transport parameters for superconductor/normal metal point contacts at fixed temperature from conductance versus magnetic field data", Physica C - Superconductivity and Applications 471, 285 (2011).

A. M. Maniero, P. H. Acioli, G. M. e Silva, and R. Gargano, "Theoretical Calculation of a new potential energy surface for the H + Li₂ Reaction" Chem. Phys. Lett. 490(4-6), 123 (2010)

P. H. Acioli, N. Ratanavade, M. R. Cline, and S. Srinivas, "Density functional Theory study of Ag-Cluster/CO Interactions", in ICCS 2009, Part II, Lecture Notes in Computer Science 5545, G. Allen et al., Eds., Springer-Verlag, Berlin-Heildelberg, 2009, pp. 203-210.

S. Srinivas, M. Yang, K. Jackson, and J. Jellinek, "Atomistic Description of Electric Dipole Polarizability in Si_nH_m, Comp. Meth. Sci. and Eng. 1108 71 (2009).

G. M. e Silva, R. Gargano, W. B. da Silva, L. F. Roncaratti, and P. H. Acioli, "Quantum Monte Carlo and Genetic Algorithm Study of the Potential Energy Surface of the H₅⁺ Molecule", Int. J. Quant. Chem. 108 (13), 2318 (2008).

P. H. Acioli, Z. Xie, B. J. Braams, and J. M. Bowman, "Vibrational Ground State properties of H₅⁺ and its Isotopomers from Diffusion Monte Carlo Calculations", J. Chem. Phys. 128, 104318 (2008).

S. Srinivas and E. Torikai, "A Density-Functional Study of the Structure and Self-Organization in Spin Clusters", J. Magnetism and Magnetic Materials 310, 2390 (2007)

M. Gidea, F. Deppe and G. Anderson, "Phase space reconstruction in the restricted three-body problem". In New Trends in Astrodynamics and Applications III (Eds. E. Belbruno), AIP Conference Proceedings 886 (2007).

J. Jellinek and P. H. Acioli, "Computational Electron Spectroscopy of Gas Phase Metal Clusters", in The Chemical Physics of Solid Surfaces , Vol. 12, Clusters: From Gas Phase to Deposited, D. Woodruff (Ed) (Amsterdan, Elsevier, 2007) p. 299-326.

J. Jellinek, P. H. Acioli, J. Garcia-Rodeja, W. Zheng, O. C. Thomas, and K. H. Bowen, Jr., "Mn^-_n Clusters: Size-Induced Transition to Half Metallicity" Phys. Rev. B 74 (15), 153401 (2006)

G. W. Anderson and T. Blazek, "E-6 unification model building. III. Clebsch-Gordan coefficients in E-6 tensor products of the 27 with higher dimensional representations", J. Math. Phys. 46, 013506 (2005).

J. Jellinek and P. H. Acioli, "Computational Electron Spectroscopy - Application to Magnesium Clusters", Lecture Series on Computer and Computational Sciences Vol. 3. G. Marouis and T. Simos, Eds. VSP, Leiden, 2005, pp. 59 to 74.

P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas and M. Horoi, "Structure, Bonding and Magnetism of Manganese Clusters, J. Chem. Phys. 122 , 014310 (2005).

J.-L. Wang, P. H. Acioli , and J. Jellinek, "Structure and Magnetism of VnBzn+1 Sandwich Clusters", J. Amer. Chem. Soc. (communications) 127 , 2812 (2005).

A. M. Maniero and P. H. Acioli, "Potential energy curves of Li₂ and LiH from a full configuration interaction pseudopotential procedure". Int. J. Quant. Chem. 103 , 711 (2005).

S. Srinivas and J. Jellinek, "First-Principles Investigation of the Structural and Electronic Properties of Small Beryllium Clusters, J. Chem. Phys. 121, 7243 (2004).

F. V. Prudente, L. S. Costa, P. H. Acioli, "Guiding function and basis function optimization in correlation function quantum Monte Carlo calculations of vibrational excited states in molecules", Journal of Physical Chemistry A 108, 1305 (2004)

P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas and M. Horoi, "Emergence of Antiferromagnetic Ordering in Mn. Clusters", Phys. Rev. A 67, 61202 (2003).

P. H. Acioli, J. Jellinek, "Magnesium clusters: structural and electronic properties and the size-induced nonmetal-to-metal transition", Journal of Physical Chemistry 107 A, 1670 (2003)

P. H. Acioli, J. Jellinek, "Theoretical determination of electron binding energy spectra of anionic magnesium clusters", European Physical Journal D 24, 27 (2003)

W. B. Silva, E. A. Corrêa, P. H. Acioli, R. Gargano, "Quantum and classical study of vibrational states of H₂⁺ and H₃⁺ molecules", International Journal of Quantum Chemistry 95, 149 (2003)

J. Jellinek, P. H. Acioli, "Converting Kohn-Sham eigenenergies into electron binding energies", Journal of Chemical Physics 118, 7783 (2003)

P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas and M. Horoi, "Density Functional Investigations of the Spin Ordering in Fe₁₃ Clusters, Phys. Rev. B 66, 195402 (2002).

E. V. Slobodzian, C. W. Smith, and P. J. Dolan Jr., "Inelastic quasiparticle scattering in normal metal/superconductor point contacts", Physica C - Superc. and Appl. 383, 401 (2002).

J. Jellinek, P. H. Acioli, "Magnesium clusters: structural and electronic properties and the size-induced nonmetal-to-metal", Journal of Physical Chemistry 106, 10919 (2002)

K. Jackson, S. Srinivas, J. Kortus, and M. Pederson, "Modeling the ¹¹⁹Sn Mossbauer Spectra of Chalcogenide Glasses using Density Functional Theory Calculations", Phys Rev. B 65, 214201 (2002).

P. H. Acioli , J. Jellinek, "Electron binding energies of anionic magnesium clusters and the nonmetal-to-metal transition", Physical Review Letters 89, 213402 (2002)

P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas, M. Horoi, C. Kohler, and G. Seifert, "Scanning the Potential Energy Surface of Iron Clusters: Novel Search Strategy", J. Chem. Phys 116, 3576 (2002).

U. A. Salian, S. Srinivas, and J. Jellinek, "Theoretical Investigations of the Interaction of Silver Trimer with Ethylene Molecule, Chem. Phys. Lett. 345, 312 (2001).

W. B. da Silva, P. H. Acioli , "Trial wave functions for the calculation of vibrational states of molecules using quantum Monte Carlo", Journal of Chemical Physics 114, 9720 (2001)

G. M. e Silva, P. H. Acioli, "Dynamical effects on the competition between polarons and bipolarons in conjugated polymers", Journal of Molecular Structure (Theochem) 539, 45 (2001)

C. da S. Pinheiro, P. H. Acioli, G. M. e Silva, "Logical switching with the use of bipolarons in conjugated polymers", Journal of Molecular Structure (Theochem) 539, 55 (2001)

G. W. Anderson and T. Blazek, "E-6 unification model building II. Clebsch-Gordan coefficients of 78 circle times 78" J. Math. Phys. 41, 8170 (2000).

J. Jellinek and P. H. Acioli, "Computational Electron Spectroscopy - Application to Magnesium Clusters", Lecture Series on Computer and Computational Sciences Vol. 3. G. Marouis and T. Simos,

C. W. Smith, E. V. Slobodzian, and P. J. Dolan Jr., "Quasiparticle effects in point contacts of niobium containing hydrogen", Physica B 284, 567 (2000).

K. A. Jackson, M. B. Knickelbein, G. Koretsky, and S. Srinivas, "The Interaction of Ammonia with Small Iron Clusters: Infrared Spectra and Density Functional Calculations of Fe_n(NH₃)_m, Complexes", Chem. Phys. 262, 41 (2000).

G. W. Anderson and T. Blazek, "E-6 unification model building. I. Clebsch-Gordan coefficients of 27 circle times(27)over-bar", J. Math. Phys. 41, 4808 (2000).

P. H. Acioli, L. S. Costa, F. V. Prudente, "Quantum Monte Carlo study of vibrational states of silanone", Chemical Physics Letters 321, 121 (2000)

F. V. Prudente, L. S. Costa, P. H. Acioli, "Correlation function quantum Monte Carlo studies of rovibrational excited states in molecules", Journal of Physics B 33, 285 (2000)

S. Srinivas and J. Jellinek, "Ab Initio Monte Carlo Investigations of Li Clusters", Phys. Stat. Solidi 217, 311 (2000).

L. S. Costa, F. V. Prudente, P. H. Acioli, "Generalized rotating wave function for quantum Monte Carlo calculations of rovibrational levels of n-body systems", Physical Review A 61, 2506 (2000)