Publications

2026

Journal articles

Fakharnezhad, A.; Kelesidis, GA.; Berry, JD.; Goudeli, E. (2026) “Nucleation, surface growth and coagulation of soot by hierarchical modeling” Powder Technology Elsevier BV. pp: 121747-121747. DOI: 10.1016/j.powtec.2025.121747

Fernando, TSM.; Ng, KM.; Yosri, MR.; Goudeli, E.; Talei, M. (2026) “Numerical investigation of silica nanoparticle formation and thermophoretic deposition during siloxane-containing biomethane combustion” International Journal of Heat and Mass Transfer Elsevier BV. pp: 128119-128119. DOI: 10.1016/j.ijheatmasstransfer.2025.128119

Li, H.; Goudeli, E.; Teleki, A.; Sotiriou, GA. (2026) “Biomedical applications of nanoparticles made by flame spray pyrolysis” Progress in Energy and Combustion Science Elsevier BV. pp: 101272-101272. DOI: 10.1016/j.pecs.2025.101272

Mukut, KM.; Goudeli, E.; Kelesidis, GA.; Roy, SP. (2026) “Elucidating pore and surface features of soot nanoparticles using molecular dynamics simulations” Fuel Elsevier BV. pp: 136692-136692. DOI: 10.1016/j.fuel.2025.136692

2025

Journal articles

Chaparro, D.; Goudeli, E. (2025) “Design of engineered nanoparticles for biomedical applications by computational modeling” Nanoscale Royal Society of Chemistry (RSC). pp: 9705-9737. DOI: 10.1039/d4nr05199h

Edirisinghe, EAAV.; Perera, MSA.; Elsworth, D.; Matthai, SK.; Goudeli, E. (2025) “Particle transport in fractured geo-energy reservoirs considering the effect of fluid inertia and turbulent flow: A review” Journal of Rock Mechanics and Geotechnical Engineering Elsevier BV. pp: 1906-1939. DOI: 10.1016/j.jrmge.2024.04.006

Edirisinghe, EAAV.; Perera, MSA.; Elsworth, D.; Rowin, WA.; Matthai, SK.; Goudeli, E. (2025) “Inertia-driven flow dynamics across rock fracture intersection: Experimental insights into subsurface reservoir flows” International Journal of Rock Mechanics and Mining Sciences Elsevier. pp: -. DOI: 10.1016/j.ijrmms.2025.106313

Fakharnezhad, A.; Saad, DM.; Kelesidis, GA.; Goudeli, E. (2025) “Nucleation rate of carbonaceous nanoparticles by n-heptane pyrolysis at high pressure and temperature via molecular dynamics simulations” Aerosol Science and Technology Informa UK Limited. pp: 1137-1150. DOI: 10.1080/02786826.2025.2480625

Fronzi, M.; Stampfl, C.; Ellis, A.; Goudeli, E. (2025) “Quantum-assisted machine learning screening for sustainable anode discovery in lithium-ion batteries” Journal of Power Sources Elsevier. pp: -. DOI: 10.1016/j.jpowsour.2025.237347

Ganguly, A.; Mukut, KM.; Roy, S.; Kelesidis, G.; Goudeli, E. (2025) “Investigation of soot precursor molecules during inception by acetylene pyrolysis using reactive molecular dynamics” Aerosol Research Copernicus GmbH. pp: 185-203. DOI: 10.5194/ar-3-185-2025

Lei, Y.; Dontschuk, N.; Kim, S.; Goudeli, E.; Liu, L.; Scholes, CA.; Kentish, SE. (2025) “Polydopamine as a hydrogen radical scavenger to prevent embrittlement of steel” International Journal of Hydrogen Energy Elsevier BV. pp: 419-426. DOI: 10.1016/j.ijhydene.2024.12.341

Liu, Z.; Goudeli, E.; Guo, R.; Xie, H.; Luo, Q.; Zhao, L.; Xu, W.; Richardson, JJ.; Xu, W.; Caruso, F.; Pan, S. (2025) “Flame synthesis achieves compositionally tailorable high-entropy metal-containing nanomaterials” Nature Chemistry Springer Science and Business Media LLC. pp: 1497-1504. DOI: 10.1038/s41557-025-01894-w

Ngo, MP.; Goudeli, E.; Scholes, CA. (2025) “Efficient electrochemical hydrogen compression based on high-crystallinity polymeric membrane electrolytes” Chemical Engineering Journal Elsevier. pp: -. DOI: 10.1016/j.cej.2025.165326

Pham, QH.; Zhang, Y.; Doan, BK.; Kanehashi, S.; Goudeli, E.; Scholes, CA. (2025) “Polymeric membranes for dimethyl ether separation from methanol” Journal of Membrane Science Elsevier. pp: -. DOI: 10.1016/j.memsci.2025.124489

Sherrell, PC.; Xie, F.; Corletto, A.; Barlow, A.; Park, D.; Zhang, J.; Usman, KAS.; Chaparro, D.; Goudeli, E.; Šutka, A.; Razal, J.; Berry, JD.; Ellis, AV. (2025) “Piezo-Electro-Catalytic Hydrogen Production via Piezoelectric Fluoropolymers” Advanced Energy and Sustainability Research Wiley. pp: . DOI: 10.1002/aesr.202500045

Sherrell, PC.; Xie, F.; Corletto, A.; Barlow, A.; Park, D.; Zhang, J.; Usman, KAS.; Chaparro, D.; Goudeli, E.; Šutka, A.; Razal, J.; Berry, JD.; Ellis, AV. (2025) “Piezo-Electro-Catalytic Hydrogen Production via Piezoelectric Fluoropolymers” Advanced Energy & Sustainability Research Wiley. pp: . DOI: 10.1002/aesr.202500045

Sherrell, PC.; Xie, F.; Corletto, A.; Barlow, A.; Park, D.; Zhang, J.; Usman, KAS.; Chaparro, D.; Goudeli, E.; Šutka, A.; Razal, J.; Berry, JD.; Ellis, AV. (2025) “Piezo‐Electro‐Catalytic Hydrogen Production via Piezoelectric Fluoropolymers” Advanced Energy & Sustainability Research Wiley. pp: . DOI: 10.1002/aesr.70018

Shin, S.; Kim, CJ.; Goudeli, E.; Faria, M.; Cortez-jugo, C.; Caruso, F. (2025) “Engineering Metal–Phenolic Network Materials through Compositional Tuning of Phenolic Molecules” Small Wiley. pp: -. DOI: 10.1002/smll.202509224

Zeng, L.; Eardley, JC.; Franks, GV.; Goudeli, E. (2025) “Implementation of a Yukawa force model in polymer-induced bridging flocculation of hematite particles using CFD-DEM” Advanced Powder Technology Elsevier BV. pp: 105096-105096. DOI: 10.1016/j.apt.2025.105096

2024

Journal articles

Chaparro, D.; Goudeli, E. (2024) “Shape-dependent oxidation rates of nano-structured silver particles” The Journal of Chemical Physics AIP Publishing. pp: -. DOI: 10.1063/5.0227329

Kim, C.; Goudeli, E.; Ercole, F.; Ju, Y.; Gu, Y.; Xu, W.; Quinn, JF.; Caruso, F. (2024) “Particle Engineering via Supramolecular Assembly of Macroscopic Hydrophobic Building Blocks” Angewandte Chemie International Edition Wiley. pp: . DOI: 10.1002/ange.202315297

Kim, CJ.; Goudeli, E.; Ercole, F.; Ju, Y.; Gu, Y.; Xu, W.; Quinn, JF.; Caruso, F. (2024) “Particle Engineering via Supramolecular Assembly of Macroscopic Hydrophobic Building Blocks” Angewandte Chemie International Edition WILEY-V C H VERLAG GMBH. pp: -. DOI: 10.1002/anie.202315297

Komljenovic, R.; Sherrell, PC.; Goudeli, E.; Rezk, AR.; Yeo, LY. (2024) “Piezo-to-piezo (P2P) conversion: simultaneous β-phase crystallization and poling of ultrathin, transparent and freestanding homopolymer PVDF films via MHz-order nanoelectromechanical vibration” Materials Horizons ROYAL SOC CHEMISTRY. pp: 1207-1222. DOI: 10.1039/d4mh00794h

Mukut, KM.; Ganguly, A.; Goudeli, E.; Kelesidis, GA.; Roy, SP. (2024) “Internal Structure of Incipient Soot from Acetylene Pyrolysis Obtained via Molecular Dynamics Simulations” The Journal of Physical Chemistry A American Chemical Society. pp: 5175-5187. DOI: 10.1021/acs.jpca.4c01548

Mukut, KM.; Ganguly, A.; Goudeli, E.; Kelesidis, GA.; Roy, SP. (2024) “Physical, chemical and morphological evolution of incipient soot obtained from molecular dynamics simulation of acetylene pyrolysis” Fuel Elsevier BV. pp: 132197-132197. DOI: 10.1016/j.fuel.2024.132197

Pham, QH.; Goudeli, E.; Scholes, CA. (2024) “Carbon dioxide hydrogenation to methanol by flame-deposited CuO/ZrO2-polymer membrane reactors” Chemical Engineering Journal ELSEVIER SCIENCE SA. pp: -. DOI: 10.1016/j.cej.2024.151442

Schmalz, F.; Kopp, WA.; Goudeli, E.; Leonhard, K. (2024) “Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis” International Journal of Chemical Kinetics Wiley. pp: 501-512. DOI: 10.1002/kin.21719

Wang, Y.; Goudeli, E. (2024) “The onset of aerosol Au nanoparticle crystallization: accretion & explosive nucleation” Nanoscale ROYAL SOC CHEMISTRY. pp: 17942-17953. DOI: 10.1039/d4nr02359e

Zeng, L.; Franks, GV.; Goudeli, E. (2024) “Aggregation and breakage dynamics of alumina particles under shear by coupled Computational Fluid Dynamics – Discrete Element Method” Journal of Colloid and Interface Science Elsevier BV. pp: 750-760. DOI: 10.1016/j.jcis.2024.01.210

2023

Journal articles

Abdulelah, H.; Keshavarz, A.; Hoteit, H.; Abid, H.; Goudeli, E.; Ennis-king, J.; Iglauer, S. (2023) “Hydrogen physisorption in earth-minerals: Insights for hydrogen subsurface storage” Journal of Energy Storage Elsevier BV. pp: 1-9. DOI: 10.1016/j.est.2023.107440

Chaparro, D.; Goudeli, E. (2023) “Oxidation Rate and Crystallinity Dynamics of Silver Nanoparticles at High Temperatures” Journal of Physical Chemistry C American Chemical Society (ACS). pp: 13389-13397. DOI: 10.1021/acs.jpcc.3c03163

Elm, J.; Czitrovszky, A.; Held, A.; Virtanen, A.; Kiendler-scharr, A.; Murray, BJ.; Mccluskey, D.; Contini, D.; Broday, D.; Goudeli, E.; Timonen, H.; Rosell-llompart, J.; Castillo, JL.; Diapouli, E.; Viana, M.; Messing, ME.; Kulmala, M.; Zíková, N.; Schmitt, SH. (2023) “Editorial: Aerosol Research – a new diamond open-access journal covering the breadth of aerosol science and technology” Aerosol Research Copernicus GmbH. pp: 13-16. DOI: 10.5194/ar-1-13-2023

Fronzi, M.; Ellis, A.; Goudeli, E. (2023) “Silicon-Based Anodes for Li Batteries: Thermodynamics, Structural Analysis, and Li Diffusion” The Journal of Physical Chemistry Letters AMER CHEMICAL SOC. pp: 10388-10395. DOI: 10.1021/acs.jpclett.3c02585

Pham, QH.; Goudeli, E.; Scholes, CA. (2023) “Selective separation of water and methanol from hydrogen and carbon dioxide at elevated temperature through polyimide and polyimidazole based membranes” Journal of Membrane Science ELSEVIER. pp: -. DOI: 10.1016/j.memsci.2023.121990

Rahbar, H.; Goudeli, E.; Kholghy, MR. (2023) “Sintering Rate of Nickel Nanoparticles by Molecular Dynamics” The Journal of Physical Chemistry C American Chemical Society (ACS). pp: 6802-6812. DOI: 10.1021/acs.jpcc.2c07776

Song, J.; Berry, JD.; Goudeli, E. (2023) “Nucleation Rate of N2 and O2 in Cryogenic H2 and He” Journal of Physical Chemistry B AMER CHEMICAL SOC. pp: 9976-9984. DOI: 10.1021/acs.jpcb.3c03364

2022

Journal articles

El-okazy, MA.; Liu, L.; Abdellah, MH.; Goudeli, E.; Kentish, SE. (2022) “Gas sorption and diffusion in perfluoro(butenyl vinyl ether) based perfluoropolymeric membranes” Journal of Membrane Science ELSEVIER. pp: -. DOI: 10.1016/j.memsci.2021.120095

Guo, R.; Goudeli, E.; Xu, W.; Richardson, JJ.; Xu, W.; Pan, S. (2022) “Exploiting Molecular Dynamics in Composite Coatings to Design Robust Super-Repellent Surfaces” Advanced Science WILEY. pp: -. DOI: 10.1002/advs.202104331

Kim, CJ.; Ercole, F.; Goudeli, E.; Bhangu, SK.; Chen, J.; Faria, M.; Quinn, JF.; Caruso, F. (2022) “Engineering Programmable DNA Particles and Capsules Using Catechol-Functionalized DNA Block Copolymers” Chemistry of Materials AMER CHEMICAL SOC. pp: 7468-7480. DOI: 10.1021/acs.chemmater.2c01586

Mukut, KM.; Roy, S.; Goudeli, E. (2022) “Molecular arrangement and fringe identification and analysis from molecular dynamics (MAFIA-MD): A tool for analyzing the molecular structures formed during reactive molecular dynamics simulation of hydrocarbons” Computer Physics Communications ELSEVIER. pp: -. DOI: 10.1016/j.cpc.2022.108325

2021

Book chapters

Goudeli, E. (2021) “Mesoscale Modelling of Nanoparticle Formation”. Metal Oxide Nanoparticles. Wiley. pp: 711-734. DOI: 10.1002/9781119436782.ch20

Journal articles

Kelesidis, GA.; Goudeli, E. (2021) “Self-preserving size distribution and collision frequency of flame-made nanoparticles in the transition regime” Proceedings of the Combustion Institute ELSEVIER SCIENCE INC. pp: 1233-1240. DOI: 10.1016/j.proci.2020.07.147

Pan, S.; Goudeli, E.; Chen, J.; Lin, Z.; Zhong, QZ.; Zhang, W.; Yu, H.; Guo, R.; Richardson, JJ.; Caruso, F. (2021) “Exploiting Supramolecular Dynamics in Metal–Phenolic Networks to Generate Metal–Oxide and Metal–Carbon Networks” Angewandte Chemie International Edition WILEY-V C H VERLAG GMBH. pp: 14586-14594. DOI: 10.1002/anie.202103044

Sharma, A.; Mukut, KM.; Roy, SP.; Goudeli, E. (2021) “The coalescence of incipient soot clusters” Carbon PERGAMON-ELSEVIER SCIENCE LTD. pp: 215-225. DOI: 10.1016/j.carbon.2021.04.065

Shepelin, NA.; Sherrell, PC.; Skountzos, EN.; Goudeli, E.; Zhang, J.; Lussini, VC.; Imtiaz, B.; Usman, KAS.; Dicinoski, GW.; Shapter, JG.; Razal, JM.; Ellis, AV. (2021) “Interfacial piezoelectric polarization locking in printable Ti3C2T x MXene-fluoropolymer composites” Nature Communications NATURE RESEARCH. pp: -. DOI: 10.1038/s41467-021-23341-3

2020

Book chapters

Goudeli, E. (2020) “Formation and growth of fractal-like agglomerates and aggregates in the gas phase”. Grammatikopoulos, P. (Ed.) Frontiers of Nanoscience. Netherlands. Elsevier. pp: 41-60. DOI: 10.1016/B978-0-12-821495-4.00004-X

Journal articles

Eggersdorfer, ML.; Goudeli, E. (2020) “Structure and dynamics of fractal-like particles made by agglomeration and sintering” AIChE Journal Wiley. pp: -. DOI: 10.1002/aic.17099

Goudeli, E.; Lee, J.; Hogan, CJ. (2020) “Silica nanocluster binding rate coefficients from molecular dynamics trajectory calculations” Journal of Aerosol Science Elsevier. pp: -. DOI: 10.1016/j.jaerosci.2020.105558

Pan, S.; Guo, R.; Bertleff-zieschang, N.; Li, S.; Besford, QA.; Zhong, Q-Z.; Yun, G.; Zhang, Y.; Cavalieri, F.; Ju, Y.; Goudeli, E.; Richardson, JJ.; Caruso, F. (2020) “Modular Assembly of Host-Guest Metal-Phenolic Networks Using Macrocyclic Building Blocks” Angewandte Chemie International Edition Wiley. pp: 275-280. DOI: 10.1002/anie.201912296

Shepelin, NA.; Sherrell, PC.; Goudeli, E.; Skountzos, EN.; Lussini, VC.; Dicinoski, GW.; Shapter, JG.; Ellis, AV. (2020) “Printed recyclable and self-poled polymer piezoelectric generators through single-walled carbon nanotube templating” Energy and Environmental Science Royal Society of Chemistry. pp: 868-883. DOI: 10.1039/C9EE03059J

2019

Journal articles

Goudeli, E. (2019) “Nanoparticle growth, coalescence, and phase change in the gas-phase by molecular dynamics” Current Opinion in Chemical Engineering ELSEVIER SCI LTD. pp: 155-163. DOI: 10.1016/j.coche.2019.04.001

Liu, B.; Ranji-burachaloo, H.; Gurr, PA.; Goudeli, E.; Qiao, GG. (2019) “A nontoxic reversible thermochromic binary system via pi-pi stacking of sulfonephthaleins” Journal of Materials Chemistry C Cambridge, United Kingdom. Royal Society of Chemistry. pp: 9335-9345. DOI: 10.1039/c9tc02071c

2018

Journal articles

Spyrogianni, A.; Karadima, KS.; Goudeli, E.; Mavrantzas, VG.; Pratsinis, SE. (2018) “Mobility and settling rate of agglomerates of polydisperse nanoparticles” The Journal of Chemical Physics AIP Publishing. pp: -. DOI: 10.1063/1.5012037

Yang, H.; Goudeli, E.; Hogan, CJ. (2018) “Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations” The Journal of Chemical Physics AMER INST PHYSICS. pp: -. DOI: 10.1063/1.5026689

2017

Journal articles

Goudeli, E.; Pratsinis, SE. (2017) “Surface Composition and Crystallinity of Coalescing Silver-Gold Nanoparticles” ACS Nano AMER CHEMICAL SOC. pp: 11653-11660. DOI: 10.1021/acsnano.7b06727

Kelesidis, GA.; Goudeli, E.; Pratsinis, SE. (2017) “Flame synthesis of functional nanostructured materials and devices: Surface growth and aggregation” Proceedings of the Combustion Institute ELSEVIER SCIENCE INC. pp: 29-50. DOI: 10.1016/j.proci.2016.08.078

Kelesidis, GA.; Goudeli, E.; Pratsinis, SE. (2017) “Morphology and mobility diameter of carbonaceous aerosols during agglomeration and surface growth” Carbon PERGAMON-ELSEVIER SCIENCE LTD. pp: 527-535. DOI: 10.1016/j.carbon.2017.06.004

Conference Papers

Kelesidis, GA.; Furrer, FM.; Goudeli, E.; Eggersdorfer, ML.; Wegner, K.; Pratsinis, SE. (2017) “Control of particle structure and size distribution by humidity” pp: 292-.

2016

Journal articles

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2016) “Coagulation of Agglomerates Consisting of Polydisperse Primary Particles” Langmuir AMER CHEMICAL SOC. pp: 9276-9285. DOI: 10.1021/acs.langmuir.6b02455

Goudeli, E.; Gröhn, AJ.; Pratsinis, SE. (2016) “Sampling and dilution of nanoparticles at high temperature” Aerosol Science and Technology TAYLOR & FRANCIS INC. pp: 591-604. DOI: 10.1080/02786826.2016.1168922

Goudeli, E.; Pratsinis, SE. (2016) “Crystallinity dynamics of gold nanoparticles during sintering or coalescence” AIChE Journal WILEY-BLACKWELL. pp: 589-598. DOI: 10.1002/aic.15125

Goudeli, E.; Pratsinis, SE. (2016) “Gas-phase manufacturing of nanoparticles: Molecular dynamics and mesoscale simulations” Particulate Science And Technology TAYLOR & FRANCIS INC. pp: 483-493. DOI: 10.1080/02726351.2016.1138263

Conference Papers

Goudeli, E.; Pratsinis, SE. (2016) “Multiscale design of nanomaterial synthesis” pp: 152-154.

2015

Journal articles

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2015) “Coagulation-agglomeration of fractal-like particles: Structure and self-preserving size distribution” Langmuir AMER CHEMICAL SOC. pp: 1320-1327. DOI: 10.1021/la504296z

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2015) “Aggregate characteristics accounting for the evolving fractal-like structure during coagulation and sintering” Journal of Aerosol Science ELSEVIER SCI LTD. pp: 58-68. DOI: 10.1016/j.jaerosci.2015.06.008