Dr. Nikolaos Prasianakis

Scientist / Group Leader

Paul Scherrer Institute
Forschungsstrasse 111
5232 Villigen PSI

  • Machine Learning and Digital Twins
  • Discrete simulation of fluid dynamics in complex geometries (Lattice Boltzmann method, Random Walk).
  • Microscopic modeling of physical processes and reactive flows.
  • Transport mechanisms and effective transport parameters in porous media.
  • Simulations in 3D geometries obtained from X-ray micro-tomography. (Beamlines of PSI)
  • Experimental diagnostics (e.g. ultrasound measurement of water content in Opalinus clay)
  • Multiscale simulations
  • Microfluidics and lab-on-a-chip design
  • Coupling of experimental and numerical techniques.

Digital Twins, presentation:

Combination of state-of-the-art algorithms, experimental facilities and theoretical models



Neural Network assisted multiscale modelling

Neural Network assisted simulation acceleration and physical coupling

Simulation of precipitation of barite in a celestite reactive zone: Rim formation mechanism


Permeability and diffusivity measurement by combining lattice Boltzmann method and advanced X-Ray tomographic techniques


Cramer, K., Prasianakis, N.I., Niceno, B., Ihli, J., Holler, M., Leyer, S. (2021) Three-Dimensional Membrane Imaging with X-ray Ptychography: Determination of Membrane Transport Properties for Membrane Distillation,  Transport in Porous Media, DOI: 10.1007/s11242-021-01603-4

Patel, R.A., Churakov, S.V., Prasianakis, N.I. (2021), A multi-level pore scale reactive transport model for the investigation of combined leaching and carbonation of cement paste, Cement and Concrete Composites, 115, art. no. 103831, DOI: 10.1016/j.cemconcomp.2020.103831

Karalis, K., Zahn, D., Prasianakis, N., Niceno, B. and Churakov, S.V., (2021). Deciphering The Molecular Mechanism Of Water Boiling At Heterogeneous Interfaces. Scientific Reports

Khatoonabadi, M., Safi, M.A., Prasianakis, N.I., Roth, J., Mantzaras, J., Kirov, N. and Büchi, F.N., (2021). Insights on the interaction of serpentine channels and gas diffusion layer in an operating polymer electrolyte fuel cell: Numerical modeling across scales. International Journal of Heat and Mass Transfer, 181, p.121859.

Khatoonabadi, M., Prasianakis, N.I., Mantzaras, J. (2021), Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity, Physical Review E, 103, art. no. 063303, DOI: https://doi.org/10.1103/PhysRevE.103.063303

Maier, M.-L., Patel, R.A., Prasianakis, N.I., Churakov, S.V., Nirschl, H., Krause, M.J. (2021), Coupling of multiscale lattice Boltzmann discrete-element method for reactive particle fluid flows,  Physical Review E, 103 (3), art. no. 033306, DOI: 10.1103/PhysRevE.103.033306

Patel, R.A. and Prasianakis, N.I., (2021), Pore-Scale Numerical Modeling Tools for Improving Efficiency of Direct Carbon Capture in Compacts. RILEM Bookseries, 33, (pp. 141-149). Springer, https://doi.org/10.1007/978-3-030-76551-4_13 


Prasianakis, N.I., Haller, R., Mahrous, M., Poonoosamy, J., Pfingsten, W., Churakov, S.V. (2020) Neural network based process coupling and parameter upscaling in reactive transport simulations,  Geochimica et Cosmochimica Acta, 291, pp. 126-143, DOI: 10.1016/j.gca.2020.07.019

Yang, G., Prasianakis, N.I., Churakov, S.V. (2020) Comparative Modeling of Ions and Solvent Properties in Ca-Na Montmorillonite by Atomistic Simulations and Fluid Density Functional Theory, Clays and Clay Minerals, 68 (2), pp. 100-114, DOI: 10.1007/s42860-019-00058-5

Molins, S., Soulaine, C., Prasianakis, N.I., Abbasi, A., Poncet, P., Ladd, A.J.C., Starchenko, V., Roman, S., Trebotich, D., Tchelepi, H.A., Steefel, C.I. (2020) Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set, Computational Geosciences, DOI: 10.1007/s10596-019-09903-x


Poonoosamy, J., Westerwalbesloh, C., Deissmann, G., Mahrous, M., Curti, E., Churakov, S.V., Klinkenberg, M., Kohlheyer, D., von Lieres, E., Bosbach, D., Prasianakis, N.I. (2019) A microfluidic experiment and pore scale modelling diagnostics for assessing mineral precipitation and dissolution in confined spaces Chemical Geology, 528, art. no. 119264, DOI: 10.1016/j.chemgeo.2019.07.039

Curti, E., Xto, J., Borca, C.N., Henzler, K., Huthwelker, Th., Prasianakis, N.I. (2019) Modelling Ra-baryte nucleation/precipitation kinetics at the pore scale : application to Radioactive waste disposal, European Journal of Mineralogy, 31, 2

Safi, M. A., Mantzaras, J., Prasianakis, N. I., Lamibrac, A., & Büchi, F. N. (2019). A pore-level direct numerical investigation of water evaporation characteristics under air and hydrogen in the gas diffusion layers of polymer electrolyte fuel cells. International Journal of Heat and Mass Transfer, 129, 1250-1262.

Yang, Y., Patel, R. A., Churakov, S. V., Prasianakis, N. I., Kosakowski, G., & Wang, M. (2019). Multiscale modeling of ion diffusion in cement paste: electrical double layer effects. Cement and Concrete Composites, 96, 55-65.


Prasianakis, N.I., Gatschet, M., Abbasi, A., & Churakov, S. V. Upscaling Strategies of Porosity-Permeability Correlations in Reacting Environments from Pore-Scale Simulations. Geofluids 9260603 (2018).

Churakov, S. V., & Prasianakis, N. I. (2018). Review of the current status and challenges for a holistic process-based description of mass transport and mineral reactivity in porous media. American Journal of Science, 318(9), 921-948.

Sui, R., Es-sebbar, E. T., Mantzaras, J., & Prasianakis, N. I. Experimental and numerical investigation of fuel-lean H2/CO/air and H2/CH4/air catalytic microreactors. Combustion Science and Technology, 190(2), 336-362 (2018)


Prasianakis, N.I., Curti, E., Kosakowski, G., Poonoosamy, J, Churakov, S.V., Deciphering pore-level precipitation mechanisms, Scientific Reports, 7(1), 13765  (2017)

Safi, M.A., Prasianakis, N.I., Mantzaras, J., Lamibrac, A, Buchi, F.N., Experimental and pore-level numerical investigation of water evaporation in gas diffusion layers of polymer electrolyte fuel cells, Int. J. Heat & Mass Transfer, 115, 238-249, (2017)

M. A. Safi, N.I. Prasianakis, S. Turek, Benchmark computations for 3D two-phase flows: A coupled lattice Boltzmann-level set study, Computers & Mathematics with Applications, Volume 73, 520-536 (2017).

R. Sui, N.I. Prasianakis, J. Mantzaras, N. Mallya, J. Theile, D. Lagrange, M. Friess, An experimental and numerical investigation of the combustion and heat transfer characteristics of hydrogen fueled catalytic microreactors, Chemical Engineering Science, 141, 214-230, (2016).

J. Kang, N.I. Prasianakis, J. Mantzaras, Thermal multicomponent Lattice Boltzmann model for catalytic reactive flows, Phys. Rev. E 89, 063310 (2014).

J. Kang, N.I. Prasianakis, and J. Mantzaras, Lattice Boltzmann model for thermal binary mixture gas flows, Phys. Rev. E 87, 053304 (2013).

N.I. Prasianakis, T. Rosén, J. Kang, J. Eller, J. Mantzaras, F.N. Buchi, Simulation of 3D porous media flows with application to polymer electrolyte fuel cells, Commun. Comput. Phys. 13, 851-866, (2013).

A. Di Rienzo, P. Asinari, E. Chiavazzo, N.I. Prasianakis, J. Mantzaras, Lattice Boltzmann model for reactive flow simulations, Europhys. Lett. 98, 34001 (2012).

T. Rosén, J. Eller, J. Kang, N.I. Prasianakis, J. Mantzaras, F. N. Buchi, Saturation dependent effective transport properties of PEFC gas diffusion layers. J. Electrochem. Soc. 159, 9 F536 (2012).

N.I. Prasianakis, S. Ansumali, Micro flow simulations via the lattice Boltzmann method, Commun. Comput. Phys. 9, 1128 (2011).

N.I. Prasianakis, I. Karlin, I. Mantzaras, K. Boulouchos, Lattice Boltzmann method with restored Galilean invariance, Phys. Rev. E 79, 066702 (2009).

N.I. Prasianakis and I. Karlin, Lattice Boltzmann method for compressible flows on standard lattices, Phys. Rev. E, 78 016704 (2008).

S. Ansumali, I. Karlin, S. Arcidiacono, A. Abbas, N. I. Prasianakis, Hydrodynamics beyond Navier-Stokes: Exact solution to the lattice Boltzmann hierarchy, Phys. Rev. Lett. 98, 124502 (2007).

N.I. Prasianakis and I. Karlin, Lattice Boltzmann simulation of thermal flows on standard lattices, Phys. Rev. E 76, 016702 (2007).

N.I. Prasianakis and K.B. Boulouchos, Lattice Boltzmann method for simulation of weakly compressible flows at arbitrary Prandtl number, Int. J. Mod. Phys. C 18, 602 (2007).

S. Ansumali, S. Arcidiacono, S. Chikatamarla, N.I. Prasianakis, A. Gorban, I. Karlin, Quasi-equilibrium lattice Boltzmann method, Euro. Phys. J. B 56, 135-139 (2007).

N.I. Prasianakis, S.S.Chikatamarla, S.Ansumali, I.V. Karlin, K.Boulouchos, Entropic Lattice Boltzmann method for simulation of Thermal flows, Math. and Comp. in Simulation 72, 179-183, (2006).

I.N. Prassianakis and N. I. Prasianakis, The ultrasonic testing of the non-metallic materials: concrete and marble, Th. and App. Fracture Mech. 42, 191-198, (2004).