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Petrology of the Ocean Crust

Inna Kurganskaya

Inna Kurganskaya
© Universität Bremen

Dr. Inna Kurganskaya

GEO Room 5490
Klagenfurter Straße 2-4
28359 Bremen, Germany


Phone: +49 421 218 65226
Email

 

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  • Computational and mathematical modelling of reactions at mineral- water interfaces across the scales

  • Kinetic Monte Carlo algorithms development and implementation

  • Geochemical scenarios and reactions prerequisite to the origin of life: inorganic pathways for pre-metabolic routes, autocatalytic reaction-transport systems, interaction between minerals and organic compounds
  • Self-organization phenomena in geochemical systems
  • Cellular Automata modelling of precipitation and transport
  • Programming and algorithms for simulations of mesoscale mineral-fluid interaction processes
  • Statistical characterization of spatio-temporal reaction rate variance
  • Statistical mechanics modelling of dissolution-precipitation feedback loop systems
2016Outstanding poster flash presentation award, European Mineralogical Union Mineral Reaction Kinetics school (MRK’16) at the University of Vienna, Austria
2011Outstanding PhD student oral presentation award//ACS CO2 sequestration symposium (242th International ACS Meeting, Geochemistry Division)
2011Outstanding Teaching Assistant, Rice University, Spring 2011 (ESCI101-The Earth)

 

Curriculum vitae

Research Positions

since 2024Research Scientist for the PROTOS Project, FB05 and MARUM, University of Bremen, Germany
2018-2024Research Scientist and Lecturer, Research Supervisor, FB05 and MARUM, University of Bremen, Germany
2015-2018Postdoctoral Research Assistant, Institute of Geosciences, University of Bern, Switzerland
2014-2015Postdoctoral Research Associate, Earth Science Department, Rice University, United States
2010-2014PhD Student Researcher,  Earth Science Department, Rice University, United States

 

Education 

2013PhD, Earth Science, Rice Universitx, Houston, TX, United States. Thesis: A multi-scale approach to study silicate dissolution: Kinetic Monte Carlo simulations and exprimental observations"
2008Master of Science, Geochemistry and geochemical modelling, Moscow State University, Moscow, Russian Federation (summa cum laude)
2006Bachelor of Science, Geochemistry and geochemical modelling, Moscow State University, Moscow, Russian Federation (summa cum laude)
2001High school attestation, State Lyceum of Tuva Republic, an innovative programm for gifted students, specialization in mathematics. (Tuva Republic, Russian Federation)

Publications

  • Kurganskaya I (2024): Dissolution mechanisms and surface charge of clay mineral nanoparticles: Insights from kinetic Monte Carlo simulations. Minerals  14(9), 900.
    | doi:10.3390/min14090900 |
  • Kurganskaya I, Lüttge A (2023): Probability distributions of mineral dissolution rates: the role of lattice defects. Frontiers in Water  5, 1225837.
    | doi:10.3389/frwa.2023.1225837 |
  • Kurganskaya I, Trofimov N, Lüttge A (2022): A kinetic Monte Carlo approach to model barite dissolution: The role of reactive site geometry. Minerals  12(5), 639.
    | doi:10.3390/min12050639 |
  • Lange I, Toro M, Arvidson RS, Kurganskaya I, Lüttge A (2021): The role of crystal heterogeneity in alkali feldspar dissolution kinetics. Geochimica et Cosmochimica Acta  309, 329-351.
    | doi:10.1016/j.gca.2021.06.032 |
  • Kurganskaya I, Niazi NK, Lüttge A (2021): A modeling approach for unveiling adsorption of toxic ions on iron oxide nanocrystals. Journal of Hazardous Materials  417, 126005.
    | doi:10.1016/j.jhazmat.2021.126005 |
  • Kurganskaya I, Lüttge A (2021): Mineral dissolution kinetics: pathways to equilibrium. ACS Earth and Space Chemistry  5(7), 1657-1673.
    | doi:10.1021/acsearthspacechem.1c00017 |
  • Schabernack J, KurganskayaI, Fischer C, Lüttge A (2020): Influence of muscovite (001) surface nanotopography on radionuclide adsorption studied by kinetic Monte Carlo simulations. Minerals  11(5), 468. 
    | doi:10.3390/min11050468 |
  • Kurganskaya I, Rohlfs RD (2020): Atomistic to meso-scale modeling of mineral dissolution: methods, challenges and prospects. American Journal of Science 320(1), 1-26.
    | doi:10.2475/01.2020.02 |
  • Trindade Pedrosa E, Kurganskaya I, Fischer C, Lüttge A (2019): A statistical approach for analysis of dissolution rates including surface morphology. Minerals 9(8), 458.
    | doi:10.3390/min9080458 |
  • Lüttge A, Arvidson RS, Fischer C, Kurganskaya I (2019): Kinetic concepts for quantitative prediction of fluid-solid interactions. Chemical Geology  504, 216-235.
    | doi:10.1016/j.chemgeo.2018.11.016 |
  • Kurganskaya I, Churakov SV (2018): Carbonate dissolution mechanisms in the presence of electrolytes revealed by grand canonical and kinetic Monte Carlo modeling. The Journal of Physical Chemistry C  122(51), 29285-29297.
    | doi:10.1021/acs.jpcc.8b08986 |
  • Fischer C, Kurganskaya I, Lüttge A (2018): Inherited control of crystal surface reactivity. Applied Geochemistry  91, 140-148.
    | doi:10.1016/j.apgeochem.2018.02.003 |
  • Rohlfs RD, Fischer C KurganskayaI, Lüttge A (2018): Crystal dissolution kinetics studied by a combination of Monte Carlo and Voronoi methods. Minerals  8(4), 133.
    | doi:10.3390/min8040133 |
  • KurganskayaI, Lüttge A (2016): Kinetic Monte Carlo approach to study carbonate dissolution. The Journal of Physical Chemistry C  120(12), 6482-6492.
    | doi:10.1021/acs.jpcc.5b10995 |
  • Fischer C, Kurganskaya I, Schäfer T, Lüttge A (2014): Variability of crystal surface reactivity: what do we know? Applied Geochemistry  43, 132-157.
    | doi:10.1016/j.apgeochem.2014.02.002 |
  • Kurganskaya I, Lüttge A (2013): Kinetic Monte Carlo simulations of silicate dissolution: model complexity and parametrization. The Journal of Physical Chemistry C  117(47), 24894-24906.
    | doi:10.1021/jp408845m |
  • Kurganskaya I, Lüttge A (2013): A comprehensive stochastic model of phyllosilicate dissolution: Structure and kinematics of etch pits formed on muscovite basal face. Geochimica et Cosmochimica Acta  120, 545-560.
    | doi:10.1016/j.gca.2013.06.038 |
  • Kurganskaya I, Arvidson RS, Fischer C, Lüttge A (2012): Does the stepwave model predict mica dissolution kinetics? Geochimica et Cosmochimica Acta  97, 120-130.
    | doi:10.1016/j.gca.2012.08.033 |
  • Kurganskaya I, Rohlfs RD, Lüttge A (2024): Multi-scale modeling of crystal-fluid interactions: state-of-the-art, challenges and prospects. In: Wandelt K, Bussetti G (eds.) Encyclopedia of Solid-Liquid Interfaces. Elsevier, pp. 760-792.
    | doi:10.1016/B978-0-323-85669-0.00034-9 |
  • Kurganskaya I (2022): Approaches for stochastic modelling of toxic ion adsorption at crystal-water interfaces: A case study of arsenic. In: Niazi NK, Bibi I, Aftab T (eds.) Global Arsenic Hazard. Environmental Science and Engineering. Springer Cham, pp. 201-221.
    | doi:10.1009/978-3-031-16360-9_10 |
  • Kurganskaya I, Lüttge A, Barron AR (2009): The application of VSI (Vertical Scanning Interferometry) to the study of crystal surface processe . In: Barron (ed.) Physical methods in inorganic and nano chemistry, 1” ed., Connexions, Rice University, Houston, Texas, United States.
  • Kurganskaya I (2025): Stochastic Cellular Automata models simulating Early Earth prebiotic self-organization reactions. Goldschmidt Conference 2025, Prague, Czech Republic.
  • Kurganskaya I (2025): Mathematical and algorithmic thinking in geochemistry: a stairway to heaven? Goldschmidt Conference 2025, Prague, Czech Republic.
  • Kurganskaya I  Rohlfs RD, Lüttge A (2025): Patterns in surface morphologies as signatures for underlying kinetic processes. Goldschmidt Conference 2025, Prague, Czech Republic.
  • Kurganskaya I (2023): Development and implementation of the Kinetic Monte Carlo algorithms from scratch. Goldschmidt Conference 2023, Prague, Czech Republic.
  • Kurganskaya I (2023): Patterns in surface morphologies as signatures for underlying kinetic processes. Goldschmidt Conference 2023, Prague, Czech Republic (Invited Talk).
  • Kurganskaya I, Lüttge A (2021): A probabilistic model of geochemical rate distributions for reactive transport modelling. Goldschmidt Conference 2021 (Virtual).
  • Kurganskaya I, Lüttge A (2021): Rigorous or practical? A new approach to develop rate laws for mineral dissolution. Goldschmidt Conference 2021 (Virtual).
  • Kurganskaya I (2020): Monte Carlo simulations of reactions at mineral surfaces: application to biogenic nano-material. 5th Int. Healthcare and Life Science (HLS) & Entrepreneurship Workshop, University of Pisa, Italy (Invited Talk).
  • Kurganskaya I, Lüttge A (2019): Kinetic Monte Carlo simulations of mineral surface reactions: application to biogenic nanomaterials. 3rd International Conference on Bio and Nanomaterials (BIONAM) 2019, Mediterranean Sea.
  • Kurganskaya I, Lüttge A (2019): Diversity of Mineral Dissolution Scenarios at the Nanoscale: Mechanistic Insights from Monte Carlo Simulations. Goldschmidt Conference 2019, Barcelona, Spain.
  • Kurganskaya I, Lüttge, Fischer A, Arvidson RS, Churakov S (2018): A multi-scale approach to study mineral dissolution: Kinetic Monte Carlo models and experimental observations. Computational Methods in Water Resources XXII: Bridging gaps between models, data and predictions. Saint-Malo, France (Invited).
  • Kurganskaya I, Arvidson RS, Fischer C, Churakov S, Lüttge A (2018): Fundamental problems in mineral-fluid reaction kinetics modelling: system size, parameterization, complexity and scalability. GeoBonn 2018 Conference, Bonn, Germany.
  • Kurganskaya I, Lüttge A, Churakov S (2017): Molecular mechanisms of carbonate dissolution: surface charge and ionic structure of mineral-water interface. Goldschmidt Conference 2017, Paris, France.
  • Kurganskaya I, Fischer A, Arvidson RS, Lüttge, Churakov S (2016): A Computational Study of Carbonate Dissolution Kinetics: How to Deal with the System’s Complexity? 2nd European Mineralogical Conference, Rimini, Italy.
  • Kurganskaya I, Fischer A, Arvidson RS, Lüttge, Churakov S (2016): Monte Carlo Approaches to Study Mineral-Water Interface Structure and Reactivity. 15th International Symposium on Experimental Mineralogy, Petrology and Geochemistry, Zurich, Switzerland.
  • Fischer C, Kurganskaya I (2014): Synthetic dissolution rate spectra. Goldschmidt Conference 2014, Sacramento, CA, United States.
  • Kurganskaya I, Lüttge A (2014): A stochastic approach to study dissolution of carbonates. Goldschmidt Conference 2014, Sacramento, CA, United States.
  • Kurganskaya I, Fischer C, Lüttge A (2014): Modeling silicate dissolution at micro-scale using Kinetic Monte Carlo approach: A case study with quartz. Modeling the Interface: Mineralogy, Environment and Energy Applications, 247th American Chemical Society International meeting, Geochemistry Division, Dallas, TX, United States.
  • Kurganskaya I, Arvidson RS, Lüttge (2013): QM-parameterization of Kinetic Monte Carlo models for silicate dissolution. Atomistic Computational Geochemistry: Atomic-Level Processes with Macroscopic Implications, 245th American Chemical Society International meeting, Geochemistry Division, New Orleans, LA, United States.
  • Kurganskaya I, Arvidson RS, Lüttge (2011): Experimental studies and Kinetic Monte Carlo simulations of phyllosilicate dissolution. Multiscale Spatiotemporal Complexity in Geologic Carbon Sequestration: Linking Experimentation and Modeling, 242th American Chemical Society International meeting, Geochemistry Division, Denver, CO, United States.
  • Kurganskaya I (2011): Kinetic Monte Carlo simulations of crystal dissolution using HTC (High Throughput Computing). TeraGrid’11 Conference, 2011, Salt Lake City, Utah (part of the OSG Summer School 2011), United States.
  • Kurganskaya I, Arvidson RS, Churakov S, Lütge A (2018): Formulating Kinetic Monte Carlo models of crystal dissolution and growth. GeoBonn 2018 Conference, Bonn, Germany.
  • Kurganskaya I, Churakov S (2017): Thermodynamics meets kinetics at atomic scale: surface speciation and mechanistic modelling of surface dissolution. GeoBremen 2017 Conference, Bremen, Germany.
  • Kurganskaya I, Lüttge A, Churakov S (2017): A mechanistic model of carbonate dissolution in the presence of electrolytes. GeoBremen 2017 Conference, Bremen, Germany.
  • Kurganskaya I, Fischer C, Churakov S (2017): Modelling approaches to identify sources of dissolution rate variability on multiple scales. GeoBremen 2017 Conference, Bremen, Germany.

 

PhD Thesis

  • Kurganskaya I (2013): A multi-scale approach to study silicate dissolution: Kinetic Monte Carlo simulations and experimental observations. PhD Thesis, Rice University, Houston, Texas, Unired States.

Master Thesis

  • ...

Bachelor Thesis

  • ...

 

2023: Session 6f Self organization, complexity, and synergetic effects in geochemical systems and geomaterials. Goldschmidt 2023 International conference in geochemistry, Lyon, France.

2023: Computational modelling, programming, and algorithms in geochemistry: Kinetic Monte Carlo, computational geometry, data visualization, and more | 2-DAY HYBRID WORKSHOP, Goldschmidt 2023 workshop, Lyon, France.

2022: Internal workshop on programming and algorithms for PhD students working in KRIMI (Kinetics of Radionuclide Immobilization by co- precipitation in solid solutions) consortium. University of Bremen, Germany.

2020: Session 13b “Environmental Implications and Health Effects of Naturally Occurring and Engineered Micro-/Nanoparticles”. Goldschmidt 2020 International conference in geochemistry (Online).

2019: CECAM (European Center of Atomistic and Molecular calculations) workshop “Current Challenges in transport, growth and dissolution at mineral-fluid interfaces”, Lyon, France (Lyon branch of CECAM) CECAM-FR-RA.

2017: Session 08f “Reactions at the mineral-fluid and mineral-organic interfaces: from molecular mechanisms to macroscopic observations”. Goldschmidt 2017 International conference in geochemistry, Paris, France.

2017: “Mineral-fluid reactions: from rocks to atoms. Computer simulations and models at different scales". Goldschmidt 2017 workshop for young researchers, Paris, France.

 

Reviewer for

  •  Chemical Reviews

  • Journal of Physical Chemistry

  • Geochimica et Cosmochimica Acta

  • Chemical Geology

  • Crystals

  • Minerals

Teaching

University of Bremen, Germany (2018-2024)

  • Lecture course: Scientific writing (Materials Chemistry and Mineralogy)

  • Lecture course: Introduction to Materials Sciences (physics and chemistry of solid materials, Monte Carlo, Molecular Dynamics and basics of Quantum Mechanics) - (Materials Chemistry and Mineralogy)

  • International workshops, internal group seminars on practical programing and algorithms. Supervision of Masters’ and PhD students on BMBF projects: Reskin (multi-scale simulations of reservoir kinetics), KRIMI (mineralogical sequestration of nuclear waste), other lab projects: Isabel Lange, Ricarda D Rohlfs, Nikolai Trofimov, Said Amiri, Mathias Peters, Jonas Schabernack, Carolina Santiago

 

Rice University, Houston, TX, United States (2009-2011)

  • Teaching Assistant, ESCI 101 The Earth, Department of Earth Science (2010-2011)

  • Teaching Assistant, CHEM 124 General Chemistry Laboratory I Department of Chemistry (Spring 2009)

 

Updated by: Patrick Monien
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