I initiated my research studying quantum many-body systems at finite temperature. This is a research topic where high performance computing together with the development of new algorithms proceed hand in hand and provide an instrumental help in the advancement of science. I started by studying atomic nuclei (science at the femto-scale), and part of my PhD thesis has been devoted to such systems, although I ended up my thesis work studying atomic clusters which, although seemingly unrelated, share many of the features known for decades in atomic nuclei, but at a scale 6 orders of magnitude larger (science at the nano-scale). On the other hand, there is little doubt on the nature of the interactions between atoms, in contrast with the situation involving atomic nuclei. My research in atomic clusters has expanded into the interface area between physics, chemistry & molecular biology or biochemistry, for system sizes at which quantum effects play a role, including the ubiquitous nanotech hype. This happens up to surprisingly large scales, canonically known as mesoscopic domains, where most people ignores them (it is only a matter of time). Along this research process, I had the privilege of working with some great scientists and to participate in exciting projects involving large scale computer simulations. A subgroup belongs to the list of co-authors of the publications listed below in reverse chronological order. .
RESEARCH @ THE NANO-SCALE |
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133.
Vibrational spectra of silicon cage clusters doped with Ti, Zr, or Hf
Carlos L. Reis, Jorge M Pacheco Physical Review B82 (2010) 155440 |
115.
Hierarchically constrained dynamics and emergence of complex behaviour in nano-hybrids
Luís D. Carlos, J. M. Pacheco, Rute A. S. Ferreira, António L. L. Videira SMALL 6, 3 (2010) 386-390 |
114.
Bulk materials made of silicon cage clusters doped with Ti, Zr, or Hf
Carlos L. Reis, J. M. Pacheco J. Physics Condensed Matter 22, 3 (2009) 035501 |
090.
Stability analysis of a bulk material built from silicon cage clusters: A first principles approach
Carlos L. Reis, José Luís Martins, J. M. Pacheco Physics Review B 76 (2007) 233406 |
074.
Silicon-metal clusters: nano-templates for cluster assembled materials
G. K. Gueorguiev, J. M. Pacheco, S. Stafström, Thin Solid Films 515 (2006) 1192-1196 |
052.
Quantum size effects in the polarizability of carbon fullerenes
G. K. Gueorguiev, J. M. Pacheco, David Tomanek, Virtual Journal of Nanoscale Science and Technology (2004) 4-9 |
051.
Quantum size effects in the polarizability of carbon fullerenes
G. K. Gueorguiev, J. M. Pacheco, David Tomanek, Phys. Rev. Lett. 92 (2004) 215501 |
050.
Shapes of cagelike metal carbide clusters: First-principles calculations
G. K. Gueorguiev, J. M. Pacheco, Phys. Rev. B68 (Rapid Communications) (2003) 241401 |
049.
First-principles norm-conserving pseudopotential with explicit incorporation of semicore states
Carlos L. Reis, J. M. Pacheco, José Luís Martins, Phys. Rev. B68 (2003) 155111 |
048.
Silicon and metal nanotemplates: Size and species dependence of structural and electronic properties
G. K. Gueorguiev, J. M. Pacheco, J. Chem. Phys. 119 (2003) 10313-10317 |
047.
First-principles study of the possibility of condensed phases of endohedral silicon cage clusters
J. M. Pacheco, G. K. Gueorguiev, José Luís Martins Phys. Rev. B66 (2002) 033401 |
046.
Structural Identification of MetCars
G. K. Gueorguiev, J. M. Pacheco Virtual Journal of Nanoscale Science and Technology, 5-11 (2002) |
045.
Structural Identification of MetCars
G. K. Gueorguiev, J. M. Pacheco Phys. Rev. Lett. 88 (2002) 115504 |
044.
Structural and electronic properties of C 36
G. K. Gueorguiev, J. M. Pacheco J. Chem. Phys. 114 (2001) 6068 |
043.
Influence of Exchange-Correlation potential in Density Functional calculations on polarizabilities and absorption spectra of alkali-metal clusters
S. A. J. van Gisbergen, J. M. Pacheco, E. J. Baerends Phys. Rev. A63 (2001) 063201 |
042.
Prediction of Liquid C 60 from ab-initio intermolecular potential, in Modelling Complex Systems
A. L. Ferreira, J. M. Pacheco, J. P. Prates-Ramalho Sixth Granada Lectures on Computational Physics, AIP Conference Proceedings 574 (2001) 218 (L. Garrido, J. Marro, Edts.) |
041.
Monte Carlo simulations with first-principles energies
J. M. Pacheco, José Luís Martins Density Functional Theory and its Applications to Materials, AIP Conference Proceedings 571 (2001) 166 (V. E. van Doren, K. van Alsenoy, P. Geerlings, Edts.) ´ |
040.
Highly efficient implementation of a Gaussian program to computing total energy of giant molecules
J. M. Pacheco, José Luís Martins Lecture Notes in Computer Science 1981 (2001) 230 |
039.
Phase diagram of C 60 from ab-initio intermolecular potential
A. L. Ferreira, J. M. Pacheco, J. P. Prates-Ramalho J. Chem. Phys. 113 (2000) 738 |
038.
Application of the Jellium Model and its Refinements to the Study of the Electronic Properties of Metal Clusters
Walter Ekardt, W.-D. Schöne.,J. M. Pacheco "Metal Clusters", W. Ekardt (Edt.) John Wiley & Sons (1999) |
037.
Reply... "Shape Phase-Transitions in the Absorption Spectra ofAtomic Clusters"
J. M. Pacheco, W. D. Schöne Phys. Rev. Lett. 81 (1998) 5703 |
036.
Towards a First-Principles Determination of the Phase Diagram of C 60
J. M. Pacheco J. P. Prates Ramalho Condensed Matter Theories, vol. 13 (J. da Providência et al., Edts. Nova Science Publishers (1998) |
035.
Ionic and Temperature Aspects of the Photoresponse of Metallic Clusters
J. M. Pacheco Czechoslovak Journal of Physics 48 (1998) 749 |
034.
Effects Of Geometry In the Elastic Scattering of Electrons by C 60 Molecules
A. N. Ipatov, W. P. Ekardt, J. M. Pacheco J. Phys. B31 (1998) L511-L517 |
033.
Shape Phase-Transitions in the Absorption Spectra ofAtomic Clusters
J. M. Pacheco , W. D. Schöne Phys. Rev. Lett. 79 (1997) 4986 |
032.
First-Principles Determination of the Dispersion Interaction between Fullerenes and their Inter-Molecular Potential
J. M. Pacheco , J. P. Prates Ramalho Phys. Rev. Lett. 79 (1997) 3873 |
031.
Plasmons and Excitons in Many-electron systems and the Optical response of Atomic Clusters
J. M. Pacheco , W. P. Ekardt Z. Phys. B103 (1997) 327 |
030.
Ab-Initio Pseudopotential Calculation of the Photo-Response of Metal Clusters
J. M. Pacheco, José Luís Martins J. Chem. Phys. 106 (1997) 6039 |
029.
Role of self-interaction effects in the geometry optimization of small metal clusters
J. M. Pacheco , W. Ekardt, W. D. Schöne Europhys. Lett. 34 (1996) 13 |
028.
Microscopic structure of the surface plasmon in fullerenes
J. M. Pacheco Surf. Rev. and Lett. 3 (1996) 753 |
027.
Reintroducing the ionic structure in the jellium model for metal clusters: pseudopotential perturbation theory
J. M. Pacheco, W. Ekardt, W. D. Schöne Surf. Rev. and Lett. 3 (1996) 313 |
026.
Monolayer metal coverage of fullerenes: The optical response
J. M. Pacheco, F. Alasia, H. E. Roman, R. A. Broglia Z. Phys. D37 (1996) 277 |
025.
Anisotropic effects in the optical spectra of magic metal clusters: the role of ionic structure
W. D. Schöne, W. Ekardt, J. M. Pacheco Z. Phys. D36 (1996) 65 |
024.
Effective particle-hole interaction and the optical response of simple metal clusters
W. Ekardt, J. M. Pacheco Phys. Rev. B52 (1995) 16864 |
023.
Response of metal clusters to elastic electron impact
M. Bernath, O. Dragún, M. R. Spinella, H. Massmann, J. M. Pacheco Phys. Rev. A52 (1995) 2173 |
022.
Microscopic structure of collective charge density oscillations in C 60 and C 70
M. S. Hansen, J. M. Pacheco, G. Onida Z. Phys. D35 (1995) 149 |
021.
Size dependent plasmons in metal clusters
W. Ekardt, J. M. Pacheco and Z. Penzar Comments in Atomic and Molecular Physics 31 (1995) 291 |
020.
The optical response of anionic alkali metal clusters
J. M. Pacheco , W. Ekardt "Atomic and Nuclear Clusters" (Springer-Verlag, Berlin, 1995), pag.79 |
019.
The reintroduction of the ionic skeleton in the jellium model for metal clusters: pseudopotential perturbation theory
W. D. Schöne, W. Ekardt, J. M. Pacheco Phys. Rev. B50 (1994) 11079 |
018.
Single-particle and collective degrees of freedom in C 60
F. Alasia, R. A. Broglia, Ll. Serra, G. Coló, J. M. Pacheco J. Phys. B: Mol. Opt. Phys. 27 (1994) L643 |
017.
Microscopic description of the plasmon resonance in small deformed metal clusters
M. Bernath, M. E. Spina, J. M. Pacheco Phys. Rev. B49 (1994) 10764 |
016.
The van de Waals Interaction between alkali microclusters
J. M. Pacheco , W. Ekardt Mod. Phys. Lett. B7 (1993) 573 |
015.
The photoabsorption cross section of negatively charged alkali metal clusters
J. M. Pacheco , W. Ekardt Phys. Rev. B47 (1993) 6667 |
014.
Response of finite many-electron systems beyond the time dependent local density approximation: Application to small metal clusters
J. M. Pacheco , W. Ekardt Annalen der Physik ( Leipzig) 1 (1992) 254 |
013.
Microscopic calculation of the van der Waals interaction between small metal clusters
J. M. Pacheco , W. Ekardt Phys. Rev. Lett. 68 (1992) 3694 |
012.
Effects of motional narrowing on the plasmon resonance in small metal clusters
W. E. Ormand, J. M. Pacheco, S. Sanguinetti, G. Benedek, R. A. Broglia Z. Phys. D24 (1992) 401 |
011.
A new formulation of the dynamical response of many-electron systems and the photoabsorption cross section of small metal clusters
J.M. Pacheco and W. Ekardt Z. Phys. D24 (1992) 65 |
010.
Role of self-interaction corrections in the photoabsorption cross section of small metal cluster
J. M. Pacheco and W. Ekardt, Proceedings of the NATO conference Physics and Chemistry of finite systems: From clusters to crystals, ed. by P. Jena, S. N. Khanna and B. K. Rao, NATO ASI series C, vol. 374 (Kluwer Academic Publishers, 1992) |
009.
Optical response of metal microclusters: Atomic analog of the giant dipole resonance in nuclei
R. A. Broglia, J. M. Pacheco, C. Yannouleas Phys. Rev. B44 (1991) 5901 |
008.
The intrinsic line width of the plasmon resonances in metal microclusters at very low temperatures: Quantal surface fluctuations
J. M. Pacheco , R. A. Broglia, B. R. Mottelson Z. Phys. D21 (1991) 289 |
007.
Microscopic structure of the plasma resonance in charged potassium microclusters
C. Yannouleas, J. M. Pacheco and R. A. Broglia Phys. Rev. B41 (1990) 6088 |
006.
Effect of surface fluctuations in the line shape of plasma resonances in small metal clusters
J. M. Pacheco and R. A. Broglia Phys. Rev. Lett. 62 (1989) 1400 |
RESEARCH @ THE FEMTO-SCALE |
005.
Algebraic manipulation of the states associated with the U(5) x O(5) x O(3) chain of groups: Orthonormalization and matrix elements
C. Yannouleas, J. M. Pacheco Computer Physics Communications 54 (1989) 315 |
004.
Time dependent Hartree-Fock calculation of the escaping width of the giant monopole resonance in Oxygen 16
J. M. Pacheco , E. Maglione and R. A. Broglia Phys. Rev. C37 (1988) 2257 |
003.
Fluctuations in the Shape Transitions of Hot Nuclei
J. M. Pacheco , C. Yannouleas and R. A. Broglia Phys. Rev. Lett. 61 (1988) 294 |
002.
An algebraic program for the states associated with the U(5) x O(5) x O(3) chain of groups
C. Yannouleas, J. M. Pacheco Computer Physics Communications 52 (1988) 85 |
001.
Damping of nuclear excitations at finite temperature
P. F. Bortignon, R. A. Broglia, G. F. Bertsch, J. M. Pacheco Nucl. Phys. A460 (1986) 149 |