SCI-SSCI or SCI Expanded Articles

• H. Camoglu, G. Kacar, Dissipative particle dynamics simulations identify structural properties and molecular clustering of alcohol-water mixtures, Fluid Phase Equilibria, https://doi.org/10.1016/j.fluid.2024.114296. (November 2024)

• O. B. Mergen, U. Gul, G. Kacar, E. Arda, M. Aydogdu, CMC/SWCNT Biocomposites: A Combined Study on Experiments, Molecular Simulations and Continuum Models, Materials Today Communications, https://doi.org/10.1016/j.mtcomm.2024.108819. (April 2024)

• G. Kacar, Structural and energetic properties of lecithin liposomes encapsulating coenzyme Q10 from coarse-grained simulations, https://doi.org/10.1007/s11696-024-03417-2. (March 2024)

• E. A. Dalgakiran, A. D. Ergin, G. Kacar, Properties of Pluronic F68 and F127 micelles interacting furosemide from coarse-grained molecular simulations as validated by experiments, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 131352. https://doi.org/10.1016/j.colsurfa.2023.131352 (March 2023)

• D. Kizilkaya, H. Ghermezchesme, S. Sabzevar, H. Makki, G. Kacar, Modeling surface segregation of smart PU coatings at hydrophilic and hydrophobic interfaces via coarse-grained molecular dynamics and mesoscopic simulations, Progress in Organic Coatings, 174, 107279. (January 2023)

• H. Camoglu, T. Urbic, G. de With, G. Kacar, Computing dissipative particle dynamics interactions to render molecular structure and temperature-dependent properties of simple liquids, Journal of Molecular Liquids, 367, 120539. (October 2022)

• M. M. Kuru, E. A. Dalgakiran, G. Kacar, Investigation of morphology, micelle properties, drug encapsulation and release behaviour of self-assembled PEG-PLA-PEG block copolymers: A coarse-grained molecular simulations study, Colloids and Surfaces A: Physicochemical and Engineering Aspects. Doi: 10.1016/j.colsurfa.2021.127445. (August 2021)

• G. Kacar, Thermodynamic stability of ibuprofen loaded poloxamer micelles, Chemical Physics, 533, 110713 (February 2020)

• G.Kacar, G. de With, Parametrizing hydrogen bond interactions in dissipative particle dynamics simulations: the case of water, methanol and their binary mixtures, Journal of Molecular Liquids, 302, 112581 (January 2020)

• G. Kacar, Molecular understanding of interactions, structure, and drug encapsulation efficiency of Pluronic micelles from dissipative particle dynamics simulations, Colloid and Polymer Science, 7-8, 1037-1051. (June 2019)

• G. Kacar, Characterizing the structure and properties of dry and wet polyethylene glycol using multi-scale simulations, Physical Chemistry Chemical Physics, 20, 12303-12311. (April 2018)

• G. Kacar, P.T.M. Albers, C. Esteves, G. de With, Mesoscopic structure and swelling properties of crosslinked polyethylene glycol in water, J. Coat. Tech. Res., DOI: 10.1007/s11998-018-0065-4 (February 2018)

• G. Kacar, Dissipative particle dynamics parameterization and simulations to predict negative volume excess and structure of PEG and water mixtures. Chemical Physics Letters, 690, 2017, 133–139. (November 2017)

• G. Kacar, G. de With, Hydrogen bonding in DPD: Application to low molecular weight alcohol-water mixtures, , Physical Chemistry Chemical Physics, 18, 9554-9560. (March 2016)

• G. Kacar, E.A.J.F. Peters, G. de With, Multi-scale simulations for predicting material properties of a cross-linked polymer, Computational Materials Science 102, 68-77. (May 2015)

• G. Kacar, E.A.J.F. Peters, L.G.J. van der Ven, G. de With, Hierarchical multi-scale simulations of adhesion at polymer–metal interfaces: dry and wet conditions, Physical Chemistry Chemical Physics 17 (14), 8935-8944. (February 2015)

• G. Kacar, E.A.J.F. Peters, G. de With, Structure of a Thermoset Polymer near an Alumina Substrate as Studied by Dissipative Particle Dynamics, The Journal of Physical Chemistry C 117 (37), 19038–19047. (August 2013)

• G. Kacar, E.A.J.F. Peters, G. de With, A generalized method for parameterization of dissipative particle dynamics for variable bead volumes, EPL 102 (4), 40009. (June 2013)

• G. Kacar, E.A.J.F. Peters, G. de With, Mesoscopic simulations for the molecular and network structure of a thermoset polymer, Soft Matter 9 (24), 5785-5793. (May 2013)

• G. Kacar, C. Atilgan, A.S. Ozen, Mapping and reverse-mapping of the morphologies for a molecular understanding of the self-assembly of fluorinated block copolymers, The Journal of Physical Chemistry C 114 (1), 370-382. (November 2009)

• H. Can, G. Kacar, C. Atilgan, Surfactant formation efficiency of fluorocarbon-hydrocarbon oligomers in supercritical CO2, The Journal of Chemical Physics 131 (12), 124701. (September 2009)

International Articles

• M. Yıldız, G. Kacar, Investigation of ibuprofen loading in PEG–PLGA–PEG micelles by coarse‑grained DPD simulations, https://doi.org/10.1557/s43580-021-00073-6. (May 2021)

• G. Kacar, Dissipative Particle Dynamics Simulation Parameters and Interactions of a Hydrogel, Journal of the Turkish Chemical Society, Section A: Chemistry, 19–28. (January 2018)

International Conferences and Symposiums

• 13. Chemical Physics Congress, Elazığ, Türkiye. (Davetli Konuşmacı) (October 2022)

• Molecular Simulation 2022: Past, Present and Future, Erice, Italy (June 2022)

• 7th International BAU Drug Design Congress, Bahcesehir University, Istanbul (Speaker) (December 2019)

• CECAM Meeting - Dissipative particle dynamics: Where do we stand on predictive application? CECAM-UK-HARTREE (Invited talk) (April 2018)

• Coatings Science International (COSI), Noordwijk, The Netherlands (Speaker) (June 2017)

• Statistical Physics Days, Izmir (Invited Speaker) (June 2017)

• 252. American Chemical Society (ACS) National Meeting 2016, Philadelphia, U.S.A. (Talk) (August 2016)

• World Polymer Congress MACRO 2016, Istanbul (Talk) (July 2016)

• 11th Chemical Physics Congress, Istanbul (Speaker) (October 2014)

• Molecular Chemistry Symposium, Istanbul (Invited talk) (May 2014)

• Dutch Polymer Institute (DPI) Meetings, The Netherlands, (Speaker)

• Dutch Polymer Days, Lunteren, The Netherlands (Poster) (September 2013)

• Dutch Molecular Dynamics Day, Eindhoven, The Netherlands (Organizer) (June 2013)

• International Materials Sci. and Applied Phys. Congress, Antalya, Turkey (Talk) (May 2012)

• Statistical Mechanics: Interplay of Theory and Computer Simulations, Mainz, Germany (Poster) (April 2012)

• NWO Dutch Polymer Days, Veldhoven, The Netherlands (Poster) (November 2011)

• SimBioMa Conference, Konstanz, Germany (Poster) (September 2011)

• Dutch Molecular Dynamics Day, Groningen, The Netherlands (Talk) (June 2011)

• CECAM Workshop Liquid/Solid interfaces, Lausanne, Switzerland (Poster) (April 2011)

• Multi-scale Modeling Workshop, Leuven, Belgium (Poster) (October 2010)

• Materials Research Society Meeting, Boston, U.S.A. (Talk) (December 2008)

• 8th Chemical Physics Congress, Istanbul (Poster) (April 2008)

National Conferences and Symposiums

• 21. Liquid-state Physics Symposium, İstanbul (Invited speaker) (December 2017)

Memberships

• Materials Research Society (MRS), 2008

Referee Positions

• Chemical Physics Letters

• RSC Advances

• The Journal of Physical Chemistry

• Macromolecular Theory and Simulations

• Journal of Computational Chemistry

• European Polymer Journal

• Journal of Colloid and Interface Science

Awards

• I2CAM Travel Award

• Coatings Science International Creativity Award

BTG 817 Modeling and Simulations of Nanobiostructures

GBM 306 Heat and Mass Transfer

GBM 326 Bioengineering Design

GBM 402 Modeling and Simulation

GBM 703 Nanostructures in Biotechnology