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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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. & Jónsson, H., 12 Dec 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6010-6022 13 p.

    Research output: Contribution to journalArticleScientificpeer-review

  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 AbstractScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  14. 2016
  15. Published

    Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations

    Caro, M. A., Laurila, T. & Lopez-Acevedo, O., 28 Dec 2016, In : Journal of Chemical Physics. 145, 24, 244504.

    Research output: Contribution to journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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

    Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    Caro, M. A., Määttä, J., Lopez-Acevedo, O. & Laurila, T., 2015, In : Journal of Applied Physics. 117, 3, p. 034502

    Research output: Contribution to journalArticleScientificpeer-review

  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

    On the interaction between gold and silver metal atoms and DNA/RNA nucleobases - A comprehensive computational study of ground state properties

    Espinosa Leal, L. & Lopez-Acevedo, O., 2015, In : NANOTECHNOLOGY REVIEWS. 4, 2, p. 173-191

    Research output: Contribution to journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  32. 2014
  33. Published

    Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies

    Caro, M. A., Zoubkoff, R., Lopez-Acevedo, O. & Laurila, T., Oct 2014, In : Carbon. 77, p. 1168-1182 15 p.

    Research output: Contribution to journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  35. Published

    Orbital-free density functional theory implementation with the projector augmented-wave method

    Lehtomäki, J., Makkonen, I., Caro, M. A., Harju, A. & Lopez-Acevedo, O., 2014, In : Journal of Chemical Physics. 141

    Research output: Contribution to journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 AbstractScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 AbstractScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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., Kristoffersen, H. H., Kuisma, M. ., Larsen, A. H., Lehtovaara, L., Ljungberg, M., Lopez-Acevedo, O., Moses, P. G., Ojanen, J., Olsen, T., Petzold, V. & 16 others, 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 ArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 journalArticleScientificpeer-review

  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 AbstractScientificpeer-review

  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 AbstractScientificpeer-review

  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., 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. & 88 others, 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 journalArticleScientificpeer-review

Previous 1 2 Next

ID: 73237