Invited talks:

1. Strategic applications of the vibrational dynamics of the
   outer layer of metal nanoparticles and chemisorbed surfaces; AVS 62nd
   International Symposium & Exhibition, to be held in San Jose,
   CA, October 18 – 23, 2015.;
2. Novel pathways in the rational design of materials: an
   application to clean energy conversion: First International Spring
   School on Computational Materials at the COMSATS Institute of
   Information Technology (CIIT), Islamabad, Pakistan, May 27,
   2015.;
3. Introduction to Electrochemical Cells and the
   Oxygen-Reduction Reaction: First International Spring School on
   Computational Materials at the COMSATS Institute of Information
   Technology (CIIT), Islamabad, Pakistan, May 27, 2015.;
4. Novel pathways in the rational design of materials: an
   application to clean energy conversion; XXIII International Materials
   Research Congress, Cancun, Quintana Roo, August 2014;
5. How “nano” is nanoscience?; NanoMex 2012, Puebla, Mexico,
   June 14th, 2012;
6. Vibrational dynamics and diffusion of CO on metal surfaces:
   New answers to old questions using ab initio
   atomistic simulations; European Conference on Surface Science XXVII,
   Groningen, Netherlands, September 1st, 2010;
7. Ab initio vibrational dynamics applied to
   analyze the CO-metal (Cu,Ag) coupling; 13th Vibrations at Surfaces
   meeting, Orlando, Florida, USA, March 13, 2010;
8. Formation of bilayer islands in heteroepitaxy of transition
   metals: insights from first principles calculations; Session on
   Scientific Computing and Mathematical Modeling within the 35th
   International Nathiagali Summer College on Physics and Contemporary
   Needs, Nathiagali, Pakistan, July 4-July 10, 2010;
9. Formation of Pt islands on Ru nanoclusters Insights from
   ab initio calculations; Session on Scientific
   Computing and Mathematical Modeling within the 35th International
   Nathiagali Summer College on Physics and Contemporary Needs, Nathiagali,
   Pakistan, July4-July 10, 2010;
10. Modeling and Design of Materials from the Perspective of the
    Density Functional Theory: Basics and Selected Applications; Session on
    Quantum Condensed Matter Systems within the 35th International
    Nathiagali Summer College on Physics and Contemporary Needs, Nathiagali,
    Pakistan, June 28-July4, 2010;

Contributed presentations:

1. Gold-doped graphene as a cost-effective, highly stable
   and active electrocatalyst for the oxygen reduction reaction:
   prediction from first principles; The Science and Technology of 2D
   materials workshop at UCF, August 21-August22, 2015.
2. Interlayer Shear Vibrations in Bilayer and Few-Layer
   Graphene: A non-local van der Waals DFT study; The Science and
   Technology of 2D materials workshop at UCF, August 21-August22,
   2015.
3. Rethinking chemisorption: New insights into the factors
   controlling the binding energy: American Physical Society March Meeting
   on Monday, March 2, 2015, San Antonio, Texas.
4. Novel pathway for the rational design of materials: An
   application to clean energy conversion: Special Seminar, Instituto de
   Física, Universidad Nacional Autónoma de México, April 1st,
   2014.
5. Mg(0001): Electronic structure features controlling the limit
   of and reactivity in the thin-film regime, stacking fault of Mg
   adislands and adatom self-diffusion: American Physical Society Meeting,
   Denver, Colorado, USA, March 5th, 2014.
6. Origin and application of the “lattice distortion energy”
   spent upon chemisorption: American Physical Society Meeting, Denver,
   Colorado, USA, March 5th, 2014.
7. Vibrational spectrum and stability of the long-debated models
   for the (7√×7√)R19∘ phase of S/Cu(111): American Physical Society
   Meeting, Denver, Colorado, USA, March 4th, 2014.
8. The unsuspected origin of gold’s nobleness: Condensed Matter
   Physics Seminar, Physics Department, University of Central Florida,
   April 22th, 2013.
9. Stabilizing and enhancing activity of Ag as a catalyst for
   oxygen redaction reaction on hydrogen fuel cell cathodes: American
   Physical Society Meeting, Baltimore, Maryland, USA, March 18,
   2013.
10. The unsuspected origin of gold’s nobleness: American Physical
    Society Meeting, Baltimore, Maryland, USA, March 19, 2013;
11. Factors controlling the thermodynamic properties at the
    nanoscale: Ab initio study of Pt nanoparticles: American Vacuum Society
    Symposium, Tampa, Florida, USA, October 28 – November 2,
    2012.
12. Rational Design of Competitive Electrocatalysts for Hydrogen
    Fuel Cells: American Vacuum Society Symposium, Tampa, Florida, USA,
    October 28 – November 2, 2012.
13. First-principles investigation of the stability and
    vibrational spectrum of MoSx nanostructures grown on Cu(111): American
    Vacuum Society Symposium, Tampa, Florida, USA, October 28 – November 2,
    2012.
14. Vibrational spectrum and stability of the long-debated models
    for the (√7×√7)R19° phase of S/Cu(111): American Vacuum Society
    Symposium, Tampa, Florida, USA, October 28 – November 2,
    2012.
15. Factors controlling thermodynamic properties at the
    nanoscale: Ab initio study of Pt nanoparticles: American Physical
    Society Meeting, Boston, Massachusetts, USA, March 1st, 2012.
16. Insights on the electronic and vibrational properties of
    Bi(111) from first principles: American Physical Society Meeting,
    Boston, Massachusetts, USA, February 28th, 2012.
17. Insights on the “topological insulator phase” and anomalous
    lattice dynamics of Bi(111), Condensed Matter Physics Seminar, Physics
    Department, University of Central Florida, March 7th, 2012.
18. Electronic structure and lattice dynamics of Bi(111):
    Insights from ab initio calculations, Colloquium of the Institut für
    Festkörperphysik, Karlsruher Institut für Technologie (Campus Süd),
    Karlsruhe, Germany, November 28, 2011.
19. Electronic Structure of Bi(111): Clarification of the role of
    the spin-orbit coupling, Florida Society of Material Simulation Annual
    Meeting, University of Central Florida, August 1-2, 2011.
20. Interpreting the unexpected outcome of measurements at the
    nanoscale: ab initio thermodynamic properties, Condensed Matter Physics
    Seminar, Physics Department, University of Central Florida, April 11st,
    2011.
21. Insights on the anomalously soft and stiff modes of metal
    nanoparticles; American Physical Society Meeting, Dallas, Texas, USA,
    March 24th, 2011.
22. Is the Debye-temperature a useful concept at the nanometer
    scale? Insights from ab initio free energy
    calculations of Au₁₃ and
    Au₁₂Fe nanoclusters; American Physical Society
    Meeting, Dallas, Texas, USA, March 24th, 2011.
23. Bilayer islands in heteroepitaxy of transition metals:
    insights from first principles; American Physical Society Meeting,
    Dallas, Texas, USA, March 23th, 2011.
24. Ab initio study of Mg self-diffusion on
    Mg(0001) terraces and steps; American Physical Society Meeting, Dallas,
    Texas, USA, March 22th, 2011.
25. Nature of Binding and Vibrational Dynamics of CO on metal
    surfaces: answers to old questions using ab initio
    calculations; Poster at Gordon Research Conferences on Chemical
    Reactions at Surfaces; Ventura California, February 6-11,
    2011.
26. On the transition from bulk to nanoparticles:
    First-principles vibrational dynamics; Seminar of the Institut für
    Festkörperphysik, Karlsruher Institut für Technologie (Campus Nord),
    Eggenstein, Germany, November 4th, 2010.
27. Ab initio calculations of pre-exponential
    factors for the diffusion of CO on Ag(001): importance of the full
    phonon dispersion; American Vacuum Society 57th Meeting, Albuquerque,
    New Mexico, USA, October 19th , 2010.
28. Vibrational dynamics and diffusion of CO on metal surfaces:
    New answers to old questions using ab initio
    atomistic simulations; Colloquium of the Department of Physics,
    Karlsruher Institut für Technologie (Campus Süd), Karlsruhe, Germany,
    October 18th, 2010.
29. Ab initio calculations of the
    “pre-exponential factor” for the diffusion of CO on Ag(001): importance
    of the full phonon dispersion; American Physical Society Meeting,
    Portland, Oregon, USA, March 16 2010.
30. Ab initio study of size effects on Mg thin
    films and Mg self-diffusion on wide vs. narrow (0001) terraces Poster
    at NanoFlorida 2010, Orlando, Florida, USA, September 10,
    2010.
31. Is the Debye-temperature a useful concept at the nanometer
    scale?: insights from ab initio free energy
    calculations of Au₁₃ and
    Au₁₂Fe nanoclusters, Poster at NanoFlorida 2010,
    Orlando, Florida, USA, September 10, 2010.
32. Formation of bilayer islands in heteroepitaxy on transition
    metals: insights from first principles calculations, NanoFlorida 2010,
    Orlando, Florida, USA, September 10, 2010.
33. Formation of bilayer islands in heteroepitaxy of transition
    metals: insights from first principles calculations; Condensed Matter
    Physics Seminar, Physics Department, University of Central Florida,
    April 21st, 2010.
34. Ab initio calculations of the
    “pre-exponential factor” for the diffusion of CO on Ag(001): importance
    of the full phonon dispersion; American Physical Society Meeting,
    Portland, Oregon, USA, March 16, 2010.
35. Vibrational Dynamics of c(2×2) CO overlayer on Cu(100) and
    Ag(100) from first principles; Seminar at the Max-Planck-Institut für
    Festkörperforschung, Stuttgart, Germany, July 30, 2009.
36. First-principles study of the lattice dynamics of c(2 × 2)-CO
    on Cu(001); Florida Chapter of the AVS Science and Technology Society,
    Orlando, Florida, USA, March 8 2009.
37. Ab initio vibrational dynamics of Ag27Cu7
    nanoalloy; American Physical Society Meeting, Pittsburgh, Pennsylvania,
    USA, March 17 2009.
38. Diffusion of two-dimensional Cu islets on Ag(111) studied
    with the Molecular Dynamics Method; American Physical Society Meeting,
    Pittsburgh, Pennsylvania, USA, March 17 2009.
39. Vibrational spectroscopy and ab initio dynamics of the
    O-induced added-row reconstructed Cu(110) surface; American Physical
    Society, March Meeting, New Orleans, Louisiana, 2008.
40. First principles calculations of the vibrational dynamics of
    c(2×2)-CO on Ag(001); American Physical Society, March Meeting, New
    Orleans, Louisiana, 2008.
41. Insights into the stability of
    Ag₂₇Cu₇ nanoalloy from
    first principles calculations of geometric and electronic structure, A
    mid-time Conference of the COST Action p19: Multiscale Modelling of
    Materials, Brno, Czech Republic, June 2008.
42. First-Principles Study of the Lattice Dynamics of c(2×2)-CO
    on Cu(001); Seminar at the Insitut für Festkörperphysik of the
    Forschungszentrum Karlsruhe, Germany, July 24 2008.
43. First principles vibrational dynamics of c(2×2)-CO on
    Ag(001); First Annual Nanoscience Technology Symposium, NANOFLORIDA,
    University of Central Florida, Orlando, Florida, USA, September
    2008;
44. Insights into the stability of
    Ag₂₇Cu₇ nanoalloy from
    first principles calculations of geometric and electronic structure;
    First Annual Nanoscience Technology Symposium: NANOFLORIDA, University
    of Central Florida, Orlando, Florida, USA, September 2008;
45. The importance of the dipolar interaction strength in
    magnetization hysteresis curves of two-dimensional nanomagnet arrays;
    Denver CO, American Physical Society, March Meeting, 2007.
46. First principles studies of the geometric and electronic
    structure of nanoalloy
    Ag₂₇Cu₇; Denver CO,
    American Physical Society, March Meeting, 2007.
47. Formation of Pt nano-islands on Ru(0001) surface: insights
    from ab initio calculations, Denver CO; American
    Physical Society, March Meeting, 2007.
48. Formation of Pt islands on Ru nanoclusters; Condensed Matter
    Physics Seminar, Physics Department, University of Central Florida,
    March 26th, 2007.
49. Diffusion of Dimers in Complex Geometries: Density Functional
    Theory Calculations; The 3^rd Annual Workshop on
    Self-Learning Kinetic Monte Carlo, Department of Physics, University of
    Central Florida, April 28, 2007.
50. The dispersion of surface phonons of CO on Cu(100): insights
    from first-principles calculations; Vibrations at surfaces 12, XII
    International Conference, Erice, Italy, July 24^th
    2007.
51. Effect of the substrate-adsorbate coupling on the dispersion
    of phonons of CO on Cu(001); American Physical Society, March Meeting,
    Baltimore MD, 2006.
52. Effect of dipolar interactions on the magnetization of a
    cubic array of nanomagnets, Baltimore MD, American Physical Society,
    March Meeting, 2006.
53. First principles studies of the geometric and electronic
    structure of nanoalloy
    Ag₂₇Cu₇; Summer School on
    Metal Clusters and Surfaces, Pisa, Italy, 2006.
54. Bimetallic system: application on fuel cells; Condensed
    Matter Physics Seminar, Physics Department, Kansas State University,
    2006.
55. First Principles Studies of the Reactivity of Pt Islets on
    Ru(0001); AVS 53rd International Symposium, San Francisco CA,
    2006.
56. Effect of Dipolar Interactions on the Magnetization of
    Single-Molecule Magnets in a cubic lattice; American Physical Society,
    March Meeting, Los Angeles CA, 2005.
57. Hysteresis by cubic arrays of nanomagnets under dipolar
    interactions; Condensed Matter Physics Seminar, Physics Department,
    Kansas State University, 2005.
58. Effect of Dipolar Interaction in Magnetization of Classical
    SMM in a cubic lattice; Condensed Matter Physics Seminar, Physics
    Department, Kansas State University, 2004.
59. Dipolar interaction between Single Molecule Magnets (SMM) in a
    2D hexagonal lattice; Condensed Matter Physics Seminar, Physics
    Department, Kansas State University, 2003.
60. Cálculo y comparaciόn experimental de la secciόn transversal
    de la pérdida electrónica de átomos Rydberg usando la aproximaciόn de
    Born; Poster at the XLIII Congreso Nacional de Física, Puebla, Mexico,
    2000.