JOURNAL OF CHEMICAL PHYSICS

Research outputs

  1. 2017
  2. 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

  3. Published

    Nudged elastic band calculations accelerated with Gaussian process regression

    Koistinen, O-P., Dagbjartsdóttir, F. B., Ásgeirsson, V., Vehtari, A. & Jonsson, H. 21 Oct 2017 In : Journal of Chemical Physics. 147, 15, p. 1-14 152720

    Research output: Contribution to journalArticle

  4. Published

    Multivalent cation induced attraction of anionic polymers by like-charged pores

    Buyukdagli, S. & Ala-Nissila, T. 14 Oct 2017 In : Journal of Chemical Physics. 147, 14, 144901

    Research output: Contribution to journalArticle

  5. Published

    Controlling polymer capture and translocation by electrostatic polymer-pore interactions

    Buyukdagli, S. & Ala-Nissila, T. 21 Sep 2017 In : Journal of Chemical Physics. 147, 11, p. 1-14 114904

    Research output: Contribution to journalArticle

  6. Published

    Repulsion between oppositely charged rod-shaped macromolecules: role of overcharging and ionic confinement

    Antila, H., van Tassel, P. R. & Sammalkorpi, M. Sep 2017 In : JOURNAL OF CHEMICAL PHYSICS. 147, 12, 9 p., 124901

    Research output: Contribution to journalArticle

  7. Published
  8. Published

    Density functional study of structure and dynamics in liquid antimony and Sb-n clusters

    Jones, R. O., Ahlstedt, O., Akola, J. & Ropo, M. 21 May 2017 In : JOURNAL OF CHEMICAL PHYSICS. 146, 19, p. 1-11 11 p., 194502

    Research output: Contribution to journalArticle

  9. 2016
  10. Published
  11. Published

    Collective excitations and viscosity in liquid Bi

    Ropo, M., Akola, J. & Jones, R. O. 14 Nov 2016 In : Journal of Chemical Physics. 145, 18, p. 1-8 184502

    Research output: Contribution to journalArticle

  12. Published

    Multiscale physics of rubber-ice friction

    Tuononen, A. J., Kriston, A. & Persson, B. 21 Sep 2016 In : Journal of Chemical Physics. 145, 11, 114703

    Research output: Contribution to journalArticle

  13. Published

    Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier

    Mökkönen, H., Ala-Nissilä, T. & Jónsson, H. 7 Sep 2016 In : Journal of Chemical Physics. 145, 9, p. 1-7 094901

    Research output: Contribution to journalArticle

  14. Published

    Electrostatics of polymer translocation events in electrolyte solutions

    Buyukdagli, S. & Ala-Nissilä, T. 7 Jul 2016 In : Journal of Chemical Physics. 145, 1, p. 1-11 014902

    Research output: Contribution to journalArticle

  15. Published

    Honeycomb and triangular domain wall networks in heteroepitaxial systems

    Elder, K. R., Chen, Z., Elder, K. L. M., Hirvonen, P., Mkhonta, S. K., Ying, S. C., Granato, E., Huang, Z. F. & Ala-Nissilä, T. 7 May 2016 In : Journal of Chemical Physics. 144, 17, p. 1-11 174703

    Research output: Contribution to journalArticle

  16. Published

    Electrostatic energy barriers from dielectric membranes upon approach of translocating DNA molecules

    Buyukdagli, S. & Ala-Nissilä, T. 28 Feb 2016 In : JOURNAL OF CHEMICAL PHYSICS. 144, 8, 11 p., 084902

    Research output: Contribution to journalArticle

  17. Published

    Dissipation in monotonic and non-monotonic relaxation to equilibrium

    Petersen, C. F., Evans, D. J. & Williams, S. R. 21 Feb 2016 In : JOURNAL OF CHEMICAL PHYSICS. 144, 7, 8 p., 074107

    Research output: Contribution to journalArticle

  18. 2015
  19. Published

    A model study of assisted adiabatic transfer of population in the presence of collisional dephasing

    Masuda, S. & Rice, S. A. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 142, hyphen

    Research output: Contribution to journalArticle

  20. Published

    Computation of shear viscosity of colloidal suspensions by SRD-MD Ala-Nissila, T.

    Laganapan, A. M. K., Videcoq, A., Bienia, M., Ala-Nissila, T., Bochicchio, D. & Ferrando, R. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 142, 14, p. 1-8 144101

    Research output: Contribution to journalArticle

  21. Published
  22. Published

    Model-free estimation of the effective correlation time for C-H bond reorientation in amphiphilic bilayers: 1H-13C solid-state NMR and MD simulations

    Ferreira, T. M., Ollila, O. H. S., Pigliapochi, R., Dabkowska, A. P. & Topgaard, D. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 142, 044905, 044905

    Research output: Contribution to journalArticle

  23. Published

    Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

    Rossi, T. P., Lehtola, S., Sakko, A., Puska, M. J. & Nieminen, R. M. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 142, 9, p. 1-9 9 p., 094114

    Research output: Contribution to journalArticle

  24. Published
  25. Published

    Theory of polymer translocation through a flickering nanopore under an alternating driving force

    Sarabadani, J., Ikonen, T. & Ala-Nissila, T. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 143, 1, p. 1-10 074905

    Research output: Contribution to journalArticle

  26. Published

    Transition State Theory Approach to Polymer Escape from a One Dimensional Potential Well

    Mökkönen, H., Ikonen, T., Ala-Nissila, T. & Jonsson, H. 2015 In : JOURNAL OF CHEMICAL PHYSICS. 142, p. 1-8 224906

    Research output: Contribution to journalArticle

  27. 2014
  28. Published

    Molecular reordering processes on ice (0001) surfaces from long timescale simulations

    Pedersen, A., Wikfeldt, K. T., Karssemeijer, L., Cuppen, H. & Jónsson, H. 21 Dec 2014 In : Journal of Chemical Physics. 141, 23, p. 1-11 234706

    Research output: Contribution to journalArticle

  29. Published

    Structure and dynamics in liquid bismuth and Bin clusters: A density functional study

    Akola, J., Atodiresei, N., Kalikka, J., Larrucea, J. & Jones, R. O. 21 Nov 2014 In : Journal of Chemical Physics. 141, 19, 10 p., 194503

    Research output: Contribution to journalArticle

  30. Published

    Towards numerically accurate many-body perturbation theory: Short-range correlation effects

    Gulans, A. 28 Oct 2014 In : JOURNAL OF CHEMICAL PHYSICS. 141, 16, 7 p., 164127

    Research output: Contribution to journalArticle

  31. Published

    Evidence of scaling in the high pressure phonon dispersion relations of some elemental solids

    Srivastava, D., Waghmare, U. V. & Sarkar, S. K. 28 Jul 2014 In : Journal of Chemical Physics. 141, 4, 044714

    Research output: Contribution to journalArticle

  32. Published

    Driven polymer transport through a periodically patterned channel

    Ikonen, T. 21 Jun 2014 In : Journal of Chemical Physics. 140, 23, p. 1-8 234906

    Research output: Contribution to journalArticle

  33. Published

    Improved initial guess for minimum energy path calculations

    Smidstrup, S., Pedersen, A., Stokbro, K. & Jónsson, H. 7 Jun 2014 In : Journal of Chemical Physics. 140, 21, p. 1-6 214106

    Research output: Contribution to journalArticle

  34. Published

    Electrostatic correlations on the ionic selectivity of cylindrical membrane nanopores

    Buyukdagli, S. & Ala-Nissilä, T. 2014 In : JOURNAL OF CHEMICAL PHYSICS. 140, p. 1-13 064701

    Research output: Contribution to journalArticle

  35. Published

    Iso-Flux Tension Propagation Theory of Driven Polymer Translocation: The Role of Initial Configurations

    Sarabadani, J., Ikonen, T. & Ala-Nissila, T. 2014 In : JOURNAL OF CHEMICAL PHYSICS. 141, p. 1-9 214907

    Research output: Contribution to journalArticle

  36. Published
  37. Published

    Polymer escape from a confining potential

    Mökkönen, H., Ikonen, T., Jonsson, H. & Ala-Nissilä, T. 2014 In : JOURNAL OF CHEMICAL PHYSICS. 140, 5, p. 1-7 054907

    Research output: Contribution to journalArticle

  38. Published

    Structure and dynamics of polymer melt confined between two solid surfaces: A molecular dynamics study

    Sarabadani, J., Milchev, A. & Vilgis, T. A. 2014 In : JOURNAL OF CHEMICAL PHYSICS. 141, 044907, p. 044907-1-

    Research output: Contribution to journalArticle

  39. Published

    Testing several recent van der Waals density functionals for layered structures

    Björkman, T. 2014 In : JOURNAL OF CHEMICAL PHYSICS. 141

    Research output: Contribution to journalArticle

  40. 2013
  41. Published

    CO dissociation on iron nanoparticles: Size and geometry effects

    Melander, M., Latsa, V. & Laasonen, K. 28 Oct 2013 In : JOURNAL OF CHEMICAL PHYSICS. 139, 16, p. 1-9 9 p., 164320

    Research output: Contribution to journalArticle

  42. Published

    Phase separation of binary nonadditive hard sphere fluid mixture confined in random porous media

    Chen, W. 21 Oct 2013 In : Journal of Chemical Physics. 139, 15, 154712

    Research output: Contribution to journalArticle

  43. Published

    Bcc crystal-fluid interfacial free energy in Yukawa systems

    Heinonen, V., Mijailović, A., Achim, C. V., Ala-Nissilä, T., Rozas, R. E., Horbach, J. & Löwen, H. 28 Jan 2013 In : Journal of Chemical Physics. 138, 4, p. 1-8 044705

    Research output: Contribution to journalArticle

  44. Published

    Alteration of gas phase ion polarizabilities upon hydration in high dielectric liquids

    Buyukdagli, S. & Ala-Nissilä, T. 2013 In : JOURNAL OF CHEMICAL PHYSICS. 139, 4, p. 1-11 044907

    Research output: Contribution to journalArticle

  45. Published

    A simple approximation for forces exerted on an AFM tip in liquid

    Watkins, M. & Reischl, B. 2013 In : JOURNAL OF CHEMICAL PHYSICS. 138

    Research output: Contribution to journalArticle

  46. Published

    Fluctuation theory of single-walled carbon nanotube formation

    Vosel, S. V., Onischuk, A. A., Purtov, P. A. & Nasibulin, A. G. 2013 In : JOURNAL OF CHEMICAL PHYSICS. 139

    Research output: Contribution to journalArticle

  47. Published

    Limiting diffusion current at rotating disk electrode with dense particle layer

    Weroński, P., Nosek, M. & Batys, P. 2013 In : Journal of Chemical Physics. 139, 12, 124705

    Research output: Contribution to journalArticle

  48. Published

    Size- and Geometry-Dependent Reactivity of Iron Nanoparticles for CO Dissociation

    Melander, M., Latsa, V. & Laasonen, K. 2013 In : JOURNAL OF CHEMICAL PHYSICS. 139, xx

    Research output: Contribution to journalArticle

  49. 2012
  50. Published

    Modeling of LbL multilayers with controlled thickness, roughness, and specific surface area

    Batys, P. & Weroński, P. 7 Dec 2012 In : Journal of Chemical Physics. 137, 21, 214706

    Research output: Contribution to journalArticle

  51. Published

    Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

    Buyukdagli, S., Achim, C. & Ala-Nissilä, T. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 137, 10, p. 1-18 104902

    Research output: Contribution to journalArticle

  52. Published

    Excluded volume effects in macromolecular forces and ion-interface interactions

    Buyukdagli, S. & Ala-Nissilä, T. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 136, 7, p. 1-17 074901

    Research output: Contribution to journalArticle

  53. Published

    Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method

    Senda, Y., Fujio, M., Shimamura, S., Blomqvist, J. & Nieminen, R. M. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 137, 15, p. 1-6 154115

    Research output: Contribution to journalArticle

  54. Published

    Influence of nanoparticle size, loading, and shape on the mechanical properties of polymer nanocomposites

    Kutvonen, A., Rossi, G., Puisto, S. R., Rostedt, N. K. & Ala-Nissilä, T. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 137, 21, p. 1-8 214901

    Research output: Contribution to journalArticle

  55. Published

    Influence of non-universal effects on dynamical scaling in driven polymer translocation

    Ikonen, T., Bhattacharya, A., Ala-Nissilä, T. & Sung, W. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 137, 8, p. 1-12 085101

    Research output: Contribution to journalArticle

  56. Published

    Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method

    Ojanperä, A., Havu, V., Lehtovaara, L. & Puska, M. 2012 In : JOURNAL OF CHEMICAL PHYSICS. 136, 14, p. 1-9 9 p., 144103

    Research output: Contribution to journalArticle

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