Olga Lopez Acevedo

Research outputs

  1. 2019
  2. Published

    Large-Z limit in atoms and solids from first principles

    Lehtomäki, J. & Lopez-Acevedo, O., 28 Dec 2019, In : Journal of Chemical Physics. 151, 24, p. 1-8 8 p., 244101.

    Research output: Contribution to journalArticle

  3. Published

    Semilocal kinetic energy functionals with parameters from neutral atoms

    Lehtomaki, J. & Lopez-Acevedo, O., 7 Oct 2019, In : Physical Review B. 100, 16, p. 1-9 9 p., 165111.

    Research output: Contribution to journalArticle

  4. 2018
  5. Published

    Silver-Stabilized Guanine Duplex: Structural and Optical Properties

    Chen, X., Makkonen, E., Golze, D. & Lopez-Acevedo, O., 16 Aug 2018, In : Journal of Physical Chemistry Letters. 9, 16, p. 4789-4794 6 p.

    Research output: Contribution to journalArticle

  6. Published
  7. 2017
  8. Published

    Self-consistent assessment of Englert-Schwinger model on atomic properties

    Lehtomäki, J. & Lopez-Acevedo, O., 21 Dec 2017, In : Journal of Chemical Physics. 147, 23, p. 1-10 234102.

    Research output: Contribution to journalArticle

  9. Published

    Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

    Dohn, A. O., Jónsson, E. O., Levi, G., Mortensen, J. J., Lopez-Acevedo, O., Thygesen, K. S., Jacobsen, K. W., Ulstrup, J., Henriksen, N. E., Møller, K. B. & 1 others, Jónsson, H., 12 Dec 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6010-6022 13 p.

    Research output: Contribution to journalArticle

  10. Published

    From cations to clusters: Ag plus -mediated DNA base pairings and fluorescent silver clusters

    Swasey, S., Chen, X., Karpenko, A., Copp, S., Lopez-Acevedo, O. & Gwinn, E., 2 Apr 2017, In : Abstracts of papers of the American Chemical Society. 253, 2 p.

    Research output: Contribution to journalMeeting Abstract

  11. Published

    Excitation-dependent fluorescence from atomic/molecular layer deposited sodium-uracil thin films

    Pale, V., Giedraityte, Z., Chen, X., Lopez Acevedo, O., Tittonen, I. & Karppinen, M., 2017, In : Scientific Reports. 7, p. 1-7 7 p., 6982.

    Research output: Contribution to journalArticle

  12. Published
  13. Published

    Silver-Mediated Double Helix: Structural Parameters for a Robust DNA Building Block

    Chen, X., Karpenko, A. & Lopez-Acevedo, O., 2017, In : ACS Omega. 2, 10, p. 7343-7348 6 p.

    Research output: Contribution to journalArticle

  14. 2016
  15. Published
  16. Published

    Density and localized states' impact on amorphous carbon electron transport mechanisms

    Caicedo-Dávila, S., Lopez-Acevedo, O., Velasco-Medina, J. & Avila, A., 7 Dec 2016, In : Journal of Applied Physics. 120, 21, p. 1-9 214303.

    Research output: Contribution to journalArticle

  17. Published

    Three-Dimensional Uracil Network with Sodium as a Linker

    Giedraityte, Z., Lopez-Acevedo, O., Espinosa Leal, L. A., Pale, V., Sainio, J., Tripathi, T. S. & Karppinen, M., 24 Nov 2016, In : Journal of Physical Chemistry C. 120, 46, p. 26342-26349 8 p.

    Research output: Contribution to journalArticle

  18. Published

    Structural morphology of carbon nanofibers grown on different substrates

    Sainio, S., Jiang, H., Caro, M. A., Koehne, J., Lopez-Acevedo, O., Koskinen, J., Meyyappan, M. & Laurila, T., 2016, In : Carbon. 98, 12, p. 343-351

    Research output: Contribution to journalArticle

  19. 2015
  20. Published

    Erratum: Piezoelectric coefficients and spontaneous polarization of ScAlN (Journal of Physics: Condensed Matter (2015) 27 (245901))

    Caro, M. A., Zhang, S., Ylilammi, M., Riekkinen, T., Moram, M. A., Lopez-Acevedo, O., Molarius, J. & Laurila, T., 15 Jul 2015, 1 p.

    Research output: Other contributionScientificpeer-review

  21. Published

    Piezoelectric coefficients and spontaneous polarization of ScAlN

    Caro, M., Zhang, S., Riekkinen, T., Ylilammi, M., Moram, M. A., Lopez-Acevedo, O., Molarius, J. & Laurila, T., 24 Jun 2015, In : Journal of physics: Condensed matter. 27, 24, 245901.

    Research output: Contribution to journalArticle

  22. Published

    Optical spectra of the special Au144 gold-cluster compounds: Sensitivity to structure and symmetry

    Weissker, H-C., Lopez-Acevedo, O., Whetten, R. L. & López Lozano, X., 21 May 2015, In : Journal of Physical Chemistry C. 119, 20, p. 11250-11259 10 p.

    Research output: Contribution to journalArticle

  23. Published
  24. Published

    Configurational effects on the piezoelectric properties of ScAlN

    Zhang, S., Laurila, T. & Lopez-Acevedo, O., 2015, Psi-K-conference, September 6-10, 2015, San Sebastian, Spain, (2015).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionScientificpeer-review

  25. Published
  26. Published

    Energy band alignment at amorphous carbon/water interfaces

    Caro, M., Määttä, J., Lopez-Acevedo, O. & Laurila, T., 2015, Psi-K-conference, September 6-10, 2015, San Sebastian, Spain.

    Research output: Chapter in Book/Report/Conference proceedingConference contributionScientificpeer-review

  27. Published
  28. Published
  29. Published

    Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms

    Espinosa Leal, L. A., Karpenko, A., Caro, M. A. & Lopez-Acevedo, O., 2015, In : Physical Chemistry Chemical Physics. 17, 47, p. 31463-31471

    Research output: Contribution to journalArticle

  30. Published

    Silver (I) as DNA glue: Ag+- mediated guanine pairing revealed by removing Watson-Crick constraints

    Swasey, S. M., Espinosa Leal, L., Lopez Acevedo, O., Pavlovich, J. & Gwinn, E. G., 2015, In : Scientific Reports. 5, p. 1-9 9 p., 10163.

    Research output: Contribution to journalArticle

  31. Published

    The Role of Hydrogen Bonds in the Stabilization of Silver-Mediated Cytosine Tetramers

    Espinosa Leal, L. A., Karpenko, A., Swasey, S., Gwinn, E. G., Rojas-Cervellera, V., Rovira., C. & Lopez-Acevedo, O., 2015, In : Journal of Physical Chemistry Letters. 6, 20, p. 4061-4066

    Research output: Contribution to journalArticle

  32. 2014
  33. Published
  34. Published

    A multi-scale code for flexible hybrid simulations using ASE framework

    Leukkunen, L., Verho, T. & Lopez-Acevedo, O., 2014, In : COMPUTING IN SCIENCE AND ENGINEERING. 16, 2, p. 54-62

    Research output: Contribution to journalArticle

  35. Published
  36. 2013
  37. Published

    First-Principles Study of Excited State Evolution in a Protected Gold Complex

    Ojanperä, A., Puska, M. J. & Lopez-Acevedo, O., 9 May 2013, In : Journal of Physical Chemistry C. 117, 22, p. 11837-11842 6 p.

    Research output: Contribution to journalArticle

  38. 2012
  39. Published

    Solvent driven formation of silver embedded resorcinarene nanorods

    Salorinne, K., Lopez-Acevedo, O., Nauha, E., Hakkinen, H. & Nissinen, M., 2012, In : CrystEngComm. 14, 2, p. 347-350 4 p.

    Research output: Contribution to journalArticle

  40. 2011
  41. Published

    Evidence of superatom electronic shells in ligand-stabilized aluminum clusters

    Clayborne, P. A., Lopez-Acevedo, O., Whetten, R. L., Gronbeck, H. & Hakkinen, H., 7 Sep 2011, In : Journal of Chemical Physics. 135, 9, 5 p., 094701.

    Research output: Contribution to journalArticle

  42. Published

    Versatility in self-assembled nanostructures composed of resorcinarene bis-crown silver complexes

    Salorinne, K., Lopez-Acevedo, O., Nauha, E., Hakkinen, H. & Nissinen, M., 28 Aug 2011, In : Abstracts of papers of the American Chemical Society. 242, 1 p.

    Research output: Contribution to journalMeeting Abstract

  43. Published

    Electronic structure of gold, aluminum, and gallium superatom complexes

    Lopez-Acevedo, O., Clayborne, P. A. & Hakkinen, H., 25 Jul 2011, In : Physical Review B. 84, 3, 6 p., 035434.

    Research output: Contribution to journalArticle

  44. Published

    Derivatives of the thiolate-protected gold cluster Au-25(SR)(18)(-1)

    Lopez-Acevedo, O. & Hakkinen, H., Jul 2011, In : European Physical Journal D. 63, 2, p. 311-314 4 p.

    Research output: Contribution to journalArticle

  45. Published

    The Al50Cp*(12) Cluster - A 138-Electron Closed Shell (L=6) Superatom

    Clayborne, P. A., Lopez-Acevedo, O., Whetten, R. L., Gronbeck, H. & Hakkinen, H., Jun 2011, In : European Journal of Inorganic Chemistry. 17, p. 2649-2652 4 p.

    Research output: Contribution to journalArticle

  46. Published

    Chirality and electronic structure of the thiolate-protected Au-38(SR)(24) nanocluster

    Lopez-Acevedo, O., Tsunoyama, H., Tsukuda, T., Hakkinen, H. & Aikens, C. M., 27 Mar 2011, In : Abstracts of papers of the American Chemical Society. 241, 1 p.

    Research output: Contribution to journalMeeting Abstract

  47. Published

    Electronic and Vibrational Signatures of the Au-102(p-MBA)(44) Cluster

    Hulkko, E., Lopez-Acevedo, O., Koivisto, J., Levi-Kalisman, Y., Kornberg, R. D., Pettersson, M. & Hakkinen, H., 23 Mar 2011, In : Journal of the American Chemical Society. 133, 11, p. 3752-3755 4 p.

    Research output: Contribution to journalArticle

  48. 2010
  49. Published

    Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals

    Akola, J., Kacprzak, K. A., Lopez-Acevedo, O., Walter, M., Gronbeck, H. & Hakkinen, H., 30 Sep 2010, In : Journal of Physical Chemistry C. 114, 38, p. 15986-15994 9 p.

    Research output: Contribution to journalArticle

  50. Published

    Theoretical Characterization of Cyclic Thiolated Copper, Silver, and Gold Clusters

    Kacprzak, K. A., Lopez-Acevedo, O., Hakkinen, H. & Gronbeck, H., 19 Aug 2010, In : Journal of Physical Chemistry C. 114, 32, p. 13571-13576 6 p.

    Research output: Contribution to journalArticle

  51. Published

    Chirality and Electronic Structure of the Thiolate-Protected Au-38 Nanocluster

    Lopez-Acevedo, O., Tsunoyama, H., Tsukuda, T., Hakkinen, H. & Aikens, C. M., 16 Jun 2010, In : Journal of the American Chemical Society. 132, 23, p. 8210-8218 9 p.

    Research output: Contribution to journalArticle

  52. Published

    Oligomeric Gold-Thiolate Units Define the Properties of the Molecular Junction between Gold and Benzene Dithiols

    Strange, M., Lopez-Acevedo, O. & Hakkinen, H., 20 May 2010, In : Journal of Physical Chemistry Letters. 1, 10, p. 1528-1532 5 p.

    Research output: Contribution to journalArticle

  53. Published

    Experimental and Density Functional Theory Analysis of Serial Introductions of Electron-Withdrawing Ligands into the Ligand Shell of a Thiolate-Protected Au-25 Nanoparticle

    Parker, J. F., Kacprzak, K. A., Lopez-Acevedo, O., Hakkinen, H. & Murray, R. W., 13 May 2010, In : Journal of Physical Chemistry C. 114, 18, p. 8276-8281 6 p.

    Research output: Contribution to journalArticle

  54. Published

    Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

    Lopez-Acevedo, O., Kacprzak, K. A., Akola, J. & Häkkinen, H., Apr 2010, In : NATURE CHEMISTRY. 2, 4, p. 329-334 6 p.

    Research output: Contribution to journalArticle

  55. Published

    Electronic structure calculations with GPAW: A real-space implementation of the projector augmented-wave method

    Enkovaara, J., Rostgaard, C., Mortensen, J. J., Chen, J., Dulak, M., Ferrighi, L., Gavnholt, J., Glinsvad, C., Haikola, V., Hansen, H. A. & 26 others, Kristoffersen, H. H., Kuisma, M. ., Larsen, A. H., Lehtovaara, L., Ljungberg, M., Lopez-Acevedo, O., Moses, P. G., Ojanen, J., Olsen, T., Petzold, V., Romero, N. A., Stausholm, J., Strange, M., Tritsaris, G. A. ., Vanin, M., Walter, M., Hammer, B., Häkkinen, H., Madsen, G. K. H., Nieminen, R. M., Norskov, J. K., Puska, M., Rantala, T., Schiotz, J., Thygesen, K. S. & Jacobsen, K. W., 2010, In : Journal of physics: Condensed matter. 22, 25, p. 1-24 24 p., 253202.

    Research output: Contribution to journalReview Article

  56. Published

    Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals

    Akola, J., Kacprzak, K. A., Lopez-Acevedo, O., Walter, M., Häkkinen, H. & Grönbeck, H., 2010, In : Journal of Physical Chemistry C. 114, 38, p. 15986-15994

    Research output: Contribution to journalArticle

  57. 2009
  58. Published

    Characterization of Iron-Carbonyl-Protected Gold Clusters

    Lopez-Acevedo, O., Rintala, J., Virtanen, S. M., Femoni, C., Tiozzo, C., Groenbeck, H., Pettersson, M. & Hakkinen, H., 9 Sep 2009, In : Journal of the American Chemical Society. 131, 35, p. 12573–12575

    Research output: Contribution to journalArticle

  59. Published

    Ligand-stabilized sub-nanometer gold clusters work as oxidation catalysts

    Lopez-Acevedo, O., Kacprzak, K. A., Akola, J. & Hakkinen, H., 16 Aug 2009, In : Abstracts of papers of the American Chemical Society. 238, 1 p.

    Research output: Contribution to journalMeeting Abstract

  60. Published

    Structure and bonding in the ubiquitous icosahedral metallic gold cluster Au144(SR)60

    Lopez-Acevedo, O., Akola, J., Whetten, R. L., Gronbeck, H. & Hakkinen, H., 16 Aug 2009, In : Abstracts of papers of the American Chemical Society. 238, 1 p.

    Research output: Contribution to journalMeeting Abstract

  61. Published

    Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    Hummelshoj, J. S., Landis, D. D., Voss, J., Jiang, T., Tekin, A., Bork, N., Dulak, M., Mortensen, J. J., Adamska, L., Andersin, J. & 98 others, Baran, J. D., Barmparis, G. D., Bell, F., Bezanilla, A. L., Bjork, J., Bjorketun, M. E., Bleken, F., Buchter, F., Burkle, M., Burton, P. D., Buus, B. B., Calborean, A., Calle-Vallejo, F., Casolo, S., Chandler, B. D., Chi, D. H., Czekaj, I., Datta, S., Datye, A., DeLaRiva, A., Despoja, V., Dobrin, S., Engelund, M., Ferrighi, L., Frondelius, P., Fu, Q. J., Fuentes, A., Furst, J. A., Garcia-Fuente, A., Gavnholt, J., Goeke, R., Gudmundsdottir, S., Hammond, K. D., Hansen, H. A., Hibbitts, D., Hobi, E., Howalt, J. G., Hruby, S. L., Huth, A., Isaeva, L., Jelic, J., Jensen, I. J. T., Kacprzak, K. A., Kelkkanen, A., Kelsey, D., Kesanakurthi, D. S., Kleis, J., Klupfel, P. J., Konstantinov, I., Korytar, R., Koskinen, P., Krishna, C., Kunkes, E., Larsen, A. H., Garcia-Lastra, J. M., Lin, H., Lopez-Acevedo, O., Mantega, M., Martinez, J. I., Mesa, I. N., Mowbray, D. J., Myrdal, J. S. G., Natanzon, Y., Nistor, A., Olsen, T., Park, H., Pedroza, L. S., Petzold, V., Plaisance, C., Rasmussen, J. A., Ren, H., Rizzi, M., Ronco, A. S., Rostgaard, C., Saadi, S., Salguero, L. A., Santos, E. J. G., Schoenhalz, A. L., Shen, J., Smedemand, M., Stausholm-Moller, O. J., Stibius, M., Strange, M., Su, H. B., Temel, B., Toftelund, A., Tripkovic, V., Vanin, M., Viswanathan, V. K., Vojvodic, A., Wang, S., Wellendorff, J., Thygesen, K. S., Rossmeisl, J., Bligaard, T., Jacobsen, K. W., Norskov, J. K. & Vegge, T., 7 Jul 2009, In : Journal of Chemical Physics. 131, 1, p. 1-9 9 p., 014101.

    Research output: Contribution to journalArticle

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