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Dr Jimena Gorfinkiel

Profile summary

Professional biography

I am Head of the Physics Research Discipline in the School of Physical Sciences at The Open University. My research focusses on modelling molecular electronic processes initiated by electrons, positrons and photons involving the continuum using mainly R-matrix based approaches. For more information on my research, see: http://physics.open.ac.uk/~jdgorfinkiel/

 

 

Externally funded projects

Exploiting Neutrons to Unveil Star-Formation: Exploring Dynamical Amorphous Ice Systems
RoleStart dateEnd dateFunding source
Co-investigator01 Oct 202030 Sep 2024STFC Science & Technology Facilities Council

Aim: The overarching aim of our research is to understand the nano-scale physical properties and structure of molecular ices in star-forming regions, and the impact of such properties on astrophysical-scale effects in the same environments, i.e. collisions leading to planet formation and chemistry leading to complex molecule formation, adsorbate gas traps, and desorption. Objective: This PhD programme has two specific objectives (a) to design and develop a dedicated low-pressure / low-temperature experimental system for forming, manipulating and destroying multi-component condensed molecular systems, for studying astrophysical ice analogues with NIMROD and SANS2D and (b) to couple large-scale molecular dynamics simulations of multi-component ice formation / evolution with measurable properties from neutron scatterring studies, including material density, porosity, structure, clathrate formation and H-bonding. Outcomes: This 4-year joint OU-ISIS studentship, which combines condensed matter experimental techniques in neutron scattering with molecular dynamics simulations, will address three key questions in astrochemistry research:- 1. What is the structure of water-ice in space? 2. When is water ice structure impacted by physical factors such as temperature, pressure or time? 3. How is water ice structure imapcted by chemical factors such as adsorbates, chemical reactions or clathrate formation? Whilst the scientific returns on this project will be focused towards astronomy stakeholders, the facilities returns will be focused on impacting a wider range of ISIS users, particularly those associated with disordered materials. The developments in coupling molecular dynamics with ISIS data analysis and interpretation will benefit users of NIMROD, SANS2D and SANDALS, particualrly where the system studied is dynamical or metastable and therefore evolving as a function of experiment time or temeprature. The new experimental faciltity will enable in situ formation of samples (probed by neutrons) as well as in situ destruction of (the same) samples. This opens up new temerpature-pressure parameter space to experimenters, as well as a new method, for sample preparation.

UK R-matrix Atomic, Molecular and Optical physics consortium
RoleStart dateEnd dateFunding source
Lead01 May 201830 Apr 2022EPSRC Engineering and Physical Sciences Research Council

UK-AMOR is a new High End Computing consortium working in the general area of atomic, molecular and optical physics. Processes to be investigated using supercomputing resources will comprise: the interaction of atoms and molecules with light including intense light source, electron collisions with atoms, ions and molecules and ultracold chemistry.

R-matrix suites for multielectron attosecond dynamics in atoms and molecules irradiated by arbitrarily polarised light
RoleStart dateEnd dateFunding source
Lead01 Sep 201728 Feb 2020EPSRC Engineering and Physical Sciences Research Council

We will develop new capability within time-dependent R-matrix theory (RMT) for ultra-fast atomic and molecular processes in general ultra-short light fields. This continues the development of atomic and molecular R-matrix codes initiated as part of the UK-RAMP HPC grant and continued under a number of dCSE and eCSE projects, in a collaboration between QUB and the OU. The work proposed here is aimed at: (i) enabling the description of the interaction of arbitrarily polarized light with atoms and molecules; (ii) fully implementing the treatment of molecules in the TD codes. This work will require significant developments to both the RMT and the UKRmol+ suites.

Achievement of Excellence in Electron Processes for Future Technologies
RoleStart dateEnd dateFunding source
Co-investigator01 Jan 201631 Mar 2019EC (European Commission): FP(inc.Horizon2020, H2020, ERC)

This H2020 Twinning project ‘Achievement of Excellence in Electron Processes for Future Technologies’ (ELEvaTE) is aimed at advancing the excellence of the Electron and Plasma Physics Laboratory (EPPL) in the Faculty of Mathematics Physics and Informatics, Comenius University in Bratislava such that it becomes a centre of international excellence and an exemplar for other Slovakian HEI while furthering the Strategy for Smart Specialization of the Slovak Republic. The goal of the ELEvaTE is to provide the EPPL opportunity to learn from partners to achieve ambition of creating a centre of excellence. ELEvaTE will twin EPPL with the Molecular Physics Group at the Open University (OU) in United Kingdom and Nano-Bio-Group at the Institute for Ion Physics and Applied Physics at the University of Innsbruck (UI). The OU is exceptional in results dissemination and the UI combines research with enterprise (e.g. ‘spin out’ company Ionicon, world's leading producer of PTRMS), both are exemplars of ‘widening participation and gender sensitive research’ and are strong in preparing IPR.

Publications

Electron collisions with BeH2 below 20 eV (2020-05)
Sukuba, Ivan and Gorfinkiel, Jimena D.
Physical Review A, 101, Article 52709(5)


Atomic and molecular suite of R-matrix codes for ultrafast dynamics in strong laser fields and electron/positron scattering (2020-01)
Wragg, J.; Benda, J.; Mašin, Z.; Armstrong, G.S.J.; Clarke, D.D.A.; Brown, A.C.; Ballance, C.; Harvey, A.G.; Houfek, K.; Sunderland, A.; Plummer, M.; Gorfinkiel, J.D. and van der Hart, H.
Journal of Physics: Conference Series, 1412, Article 72017(7)


Photoionization of H2 using the molecular R-matrix with time approach (2020-01)
Benda, J.; Mašin, Z.; Armstrong, G.S.J.; Clarke, D.D.A.; Brown, A.C.; Gorfinkiel, J.D. and van der Hart, H.
Journal of Physics: Conference Series, 1412, Article 152066(15)


Electron Collisions with Molecules and Molecular Clusters (2020)
Gorfinkiel, Jimena
European Journal of Physics D, 74, Article 51


Resonances in molecules and molecular clusters (2020)
Gorfinkiel, Jimena D.
Journal of Physics: Conference Series, 1412, Article 52003(5)


A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV (2020)
Costa, Filipe; Traoré-Dubuis, Ali; Álvarez, Lidia; Lozano, Ana I.; Ren, Xueguang; Dorn, Alexander; Limão-Vieira, Paulo; Blanco, Francisco; Oller, Juan C.; Muñoz, Antonio; García-Abenza, Adrián; Gorfinkiel, Jimena D.; Barbosa, Alessandra S.; Bettega, Marcio H. F.; Stokes, Peter; White, Ronald D.; Jones, Darryl B.; Brunger, Michael J. and García, Gustavo
International Journal of Molecular Sciences, 21, Article 6947(18)


Perturbative and nonperturbative photoionization of H2 and H2O using the molecular ℝ-matrix-with-time method (2020)
Benda, Jakub; Gorfinkiel, Jimena; Mašin, Zdeněk; Armstrong, G. S. J.; Brown, A. C.; Clarke, D. D. A.; van der Hart, H. W. and Wragg, J.
Physical Review A, 102, Article 52826(5)


UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method (2019-11-22)
Mašin, Zdeněk; Benda, Jakub; Gorfinkiel, Jimena D.; Harvey, Alex G. and Tennyson, Jonathan
Computer Physics Communications, 249, Article 107092


Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method (2019-10-17)
Cooper, Bridgette; Tudorovskaya, Maria; Mohr, Sebastian; O’Hare, Aran; Hanicinec, Martin; Dzarasova, Anna; Gorfinkiel, Jimena; Benda, Jakub; Mašín, Zdeněk; Al-Refaie, Ahmed F.; Knowles, Peter J. and Tennyson, Jonathan
Atoms, 7, Article 97(4)


reskit: a toolkit to determine the poles of an S-matrix (2019-06)
Bingham, Peter S. and Gorfinkiel, Jimena D.
Computer Physics Communications, 239 (pp. 272-282)


Shape and core-excited resonances in electron scattering from alanine (2019)
Loupas, Alexandra and Gorfinkiel, Jimena D.
The Journal of Chemical Physics, 150, Article 64307(6)


RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses (2019)
Brown, Andrew C.; Armstrong, Gregory S.J.; Benda, Jakub; Clarke, Daniel D.A.; Wragg, Jack; Hamilton, Kathryn R.; Mašin, Zdeněk; Gorfinkiel, Jimena D. and van der Hart, Hugo W.
Computer Physics Communications, Article 107062 ((Early Access))


Interatomic Coulombic electron capture from first principles (2018-08-07)
Sisourat, Nicolas; Miteva, Tsveta; Gorfinkiel, Jimena D.; Gokhberg, Kirill and Cederbaum, Lorenz S.
Physical Review A, 98, Article 020701(R)(2)


Cross sections for electron scattering from thiophene for a broad energy range (2018-07-21)
Loupas, Alexandra; Lozano, Ana. I.; Blanco, Francisco; Gorfinkiel, Jimena D. and García, Gustavo
The Journal of Chemical Physics, 149, Article 34304(3)


Shape and Core-Excited Resonances in Thiophene (2018-02-01)
Loupas, Alexandra; Regeta, Khrystyna; Allan, Michael and Gorfinkiel, Jimena D.
The Journal of Physical Chemistry A, 122(4) (pp. 1146-1155)


Total electron scattering cross sections from thiophene for the (1-300 eV) impact energy range (2018)
Lozano, A. I.; Loupas, A.; Blanco, F.; Gorfinkiel, J. D. and García, G.
The Journal of Chemical Physics, 149, Article 134303(13)


Theoretical study of resonance formation in microhydrated molecules. II. Thymine-(H2O)n, n = 1,2,3,5 (2017-07-21)
Sieradzka, Agnieszka and Gorfinkiel, Jimena D.
The Journal of Chemical Physics, 147, Article 34303(3)


Theoretical study of resonance formation in microhydrated molecules. I. Pyridine-(H2O)n, n = 1,2,3,5 (2017-07-21)
Sieradzka, Agnieszka and Gorfinkiel, Jimena D.
Journal of Chemical Physics, 147, Article 34302(3)


On the computations of interatomic Coulombic decay widths with R-matrix method (2017)
Sisourat, Nicolas; Engin, Selma; Gorfinkiel, Jimena D.; Kazandjian, Sévan; Kolorenč, Přemysl and Miteva, Tsveta
The Journal of Chemical Physics, 146, Article 244109(24)


Resonances in low-energy electron scattering from para-benzoquinone (2017)
Loupas, Alexandra and Gorfinkiel, Jimena D.
Physical Chemistry Chemical Physics, 19(28) (pp. 18252-18261)


Electron scattering from molecules and molecular aggregates of biological relevance (2017)
Gorfinkiel, Jimena D. and Ptasinska, Sylwia
Journal of Physics B: Atomic, Molecular and Optical Physics, 50(18) (p 182001)


Effect of the third π∗ resonance on the angular distributions for electron-pyrimidine scattering (2016-07-12)
Mašin, Zdeněk and Gorfinkiel, Jimena D.
The European Physical Journal D, 70, Article 151(7)


Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine (2016-05-26)
Allan, Michael; Regeta, Khrystyna; Gorfinkiel, Jimena D.; Mašin, Zdeněk; Grimme, Stefan and Bannwarth, Christoph
The European Physical Journal D, 70, Article 123(5)


Resonance effects in elastic cross sections for electron scattering on pyrimidine: Experiment and theory (2016-01-14)
Regeta, Khrystyna; Allan, Michael; Winstead, Carl; McKoy, Vincent; Mašin, Zdeněk and Gorfinkiel, Jimena D.
Journal of Chemical Physics, 144, Article 24301(2)


Absolute cross sections for electronic excitation of pyrimidine by electron impact (2016-01-14)
Regeta, Khrystyna; Allan, Michael; Mašin, Zdeněk and Gorfinkiel, Jimena D.
Journal of Chemical Physics, 144, Article 24302(2)


The role of multichannel effects in the photoionization of the NO2 molecule: an ab initio R- matrix study (2015-11-03)
Brambila, Danilo S; Harvey, Alex G; Mašin, Zdeněk; Gorfinkiel, Jimena D. and Smirnova, Olga
Journal of Physics B: Atomic, Molecular and Optical Physics, 48, Article 245101(24)


Electron scattering from pyridine (2014-08-21)
Sieradzka, A.; Blanco, F.; Fuss, M. C.; Mašin, Z.; Gorfinkiel, J. D. and García, G.
Journal of Physical Chemistry A, 118(33) (pp. 6657-6663)


Resonance formation in low energy electron scattering from uracil (2014-05)
Mašin, Zdeněk and Gorfinkiel, Jimena D.
European Physical Journal D, 68, Article 112(5)


Towards an accurate representation of the continuum in calculations of electron, positron and laser field interactions with molecules (2014-03)
Mašin, Zdeněk and Gorfinkiel, Jimena D.
Journal of Physics: Conference Series, 490, Article 12090(1)


Electron scattering cross section calculations for polar molecules over a broad energy range (2014-01)
Sanz, A. G.; Fuss, M. C.; Blanco, F.; Mašin, Zdeněk; Gorfinkiel, Jimena D.; Carelli, F.; Sebastianelli, F.; Gianturco, F. A. and García, G.
Applied Radiation and Isotopes, 83(B) (pp. 57-67)


Recent progress in electron scattering from atoms and molecules (2014)
Brunger, M. J.; Buckman, S. J.; Palihawadana, P.; Jones, D. B.; Chiari, L.; Pettifer, Z.; da Silva, G. B.; Lopes, M. C. A.; Duque, H. V.; Mašin, Z.; Gorfinkiel, J. D.; Garcia, G.; Hoshino, M.; Tanaka, H. and Limão-Vieira, P.
AIP Conference Proceedings, 1588, Article 71


Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV (2013-12-04)
Sanz, A. G.; Fuss, M. C.; Blanco, F.; Mašin, Z.; Gorfinkiel, J. D.; McEachran, R. P.; Brunger, M. J. and García, G.
Physical Review A, 88, Article 62704(6)


An investigation into electron scattering from pyrazine at intermediate and high energies (2013-11-14)
Sanz, A. G.; Fuss, M. C.; Blanco, F.; Gorfinkiel, J. D.; Almeida, D.; Ferreira da Silva, F.; Limão-Vieira, P.; Brunger, M. J. and García, G.
Journal of Chemical Physics, 139, Article 184310


A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane (2013-07-07)
Palihawadana, P.; Sullivan, J. P.; Buckman, S. J.; Mašin, Z.; Gorfinkiel, J. D.; Blanco, F.; García, G. and Brunger, M. J.
Journal of Chemical Physics, 139(1)


Shape and core excited resonances in electron collisions with diazines (2012-11-29)
Mašin, Zdeněk and Gorfinkiel, Jimena D.
Journal of Chemical Physics, 137, Article 204312(20)


Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine (2012-04-12)
Mašin, Zdeněk; Gorfinkiel, Jimena; Jones, Darryl B.; Bellm, Susan M. and Brunger, Michael J.
Journal of Chemical Physics, 136, Article 144310(14)


UKRmol: a low-energy electron- and positron-molecule scattering suite (2012)
Carr, J. M.; Galiatsatos, P. G.; Gorfinkiel, J. D.; Harvey, A. G.; Lysaght, M. A.; Madden, D.; Mašin, Z.; Plummer, M.; Tennyson, J. and Varambhia, H. N.
The European Physical Journal D, 66, Article 58(3)


Electron attachment to molecules in a cluster environment (2012)
Fabrikant, I. I.; Caprasecca, S.; Gallup, G. A. and Gorfinkiel, J. D.
The Journal of Chemical Physics, 136, Article 184301(18)


Elastic and inelastic low-energy electron collisions with pyrazine (2011-10-14)
Mašin, Zdeněk and Gorfinkiel, Jimena
The Journal of Chemical Physics, 135(14) (pp. 144308-144321)


Multiple scattering approach to elastic electron collisions with molecular clusters (2009)
Caprasecca, S; Gorfinkiel, J.; Bouchiha, D. and Caron, L. G.
Journal of Physics B: Atomic, Molecular and Optical Physics, 42(9) (p 95205)


Low and intermediate energy electron collisions with the C−2 molecular anion (2008)
Halmov'a, Gabriela; Gorfinkiel, J. D. and Tennyson, J.
Journal of Physics B: Atomic, Molecular and Optical Physics, 41(15) (p 155201)


Multiple scattering approach to elastic low-energy electron collisions with the water dimer (2008)
Bouchiha, D.; Caron, L. G.; Gorfinkiel, J. D. and Sanche, L.
Journal of Physics B: Atomic, Molecular and Optical Physics, 41(4) (p 45204)


Energy deposition model based on electron scattering cross section data from water molecules (2008)
Muñoz, A; Oiler, J. C.; Blanco, F.; Gorfinkiel, J. D.; Limão-Vieira, P.; Maira-Vidal, A.; Borge, M. J. G.; Tengblad, O.; Huerga, C.; Téllez, M. and Garcia, G
Journal of Physics: Conference Series, 133 (article no. 012002)


Electron scattering cross sections and stopping powers in H2 (2007-01-12)
Munoz, A.; Oller, J.C.; Blanco, F.; Gorfinkiel, J.D. and Garcia, G.
Chemical Physics Letters, 433(4-6) (pp. 253-258)


Low-energy electron collisions with methanol (2007)
Bouchiha, D.; Gorfinkiel, J. D.; Caron, L. G. and Sanche, L.
Journal of Physics B: Atomic, Molecular and Optical Physics, 40(6) (pp. 1259-1270)


Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment (2007)
Caron, Laurent; Bouchiha, D.; Gorfinkiel, J. D. and Sanche, L.
Physical Review A, 76(3) (p 32716)


Electron-scattering cross sections and stopping powers in H2O (2007)
Munoz, A.; Oller, J. C.; Blanco, F.; Gorfinkiel, J. D.; Limao-Vieira, P. and Garcia, G.
Physical Review A, 76(5) (p 52707)


Low-energy electron collisions with tetrahydrofuran (2006-02-21)
Bouchiha, D.; Gorfinkiel, J.D.; Caron, L.G. and Sanche, L.
Journal of Physics B: Atomic, Molecular and Optical Physics, 39(4) (pp. 975-986)


Low-energy electron collisions with C2 using the R-matrix method (2006)
Halmov'a, Gabriela; Gorfinkiel, J. D. and Tennyson, Jonathan
Journal of Physics B: Atomic, Molecular and Optical Physics, 39(12) (pp. 2849-2860)


Electron impact ionization of small molecules at intermediate energies: the molecular R-matrix with pseudostates method (2005-06-14)
Gorfinkiel, J.D. and Tennyson, J.
Journal of Physics B: Atomic, Molecular and Optical Physics, 38(11) (pp. 1607-1622)


Low-energy electron collisions with water: elastic and rotationally inelastic scattering (2004-02-28)
Faure, A.; Gorfinkiel, J.D. and Tennyson, Jonathan
Journal of Physics B: Atomic, Molecular and Optical Physics, 37(4) (pp. 801-807)


Electron-impact rotational excitation of water (2004-01-01)
Faure, Alexandre; Gorfinkiel, Jimena D. and Tennyson, Jonathan
Monthly Notices of the Royal Astronomical Society, 347(1) (pp. 323-333)


Electron impact dissociative excitation of water within the adiabatic nuclei approximation (2002-02-14)
Gorfinkiel, J.D.; Morgan, L.A. and Tennyson, Jonathan
Journal of Physics B: Atomic, Molecular and Optical Physics, 35(3) (pp. 543-555)


Resonances in molecules and molecular clusters
Gorfinkiel, Jimena D.
Journal of Physics: Conference Series, 1412, Article 52003


A multiple-scattering approach to electron collisions with small molecular clusters (2012-01)
Gorfinkiel, Jimena D. and Caprasecca, Stefano
In: Garcia Gomez-Tejedor, Gustavo and Fuss, Martina Christina eds. Radiation Damage in Biomolecular Systems. Biological and Medical Physics, Biomedical Engineering (pp. 127-142)
ISBN : 978-94-007-2563-8 | Publisher : Springer Science+Business Media