Prof. George K. Papadopoulos

School of Chemical Engineering
National Technical University of Athens

George K. Papadopoulos
CV and Publications list

Short bio

GKP is a faculty member at the School of Chemical Engineering of the National Technical University of Athens, with studies at NTUA, and a Doctoral degree from the NKUA. After a stay as postdoctoral scholar at the Dept. of Chemical Engineering, Cambridge University, UK, he held a research associate position at the Imperial College of Science, Technology and Medicine, London, UK. He has been a Fulbright fellow at the Dept. of Chemical Engineering of the Massachusetts Institute of Technology, Cambridge MA, USA, and a MSC visiting Professor at the Inst. for Medical Engineering and Science of the Massachusetts Institute of Technology.

Research areas

Computer Simulation, Energy and Environment, Biomolecular Modeling.

Research interests

  • Study of fluids under confinement toward adsorptive heat storage and transformation, and carbon neutral technologies.
  • Modeling smart nanoparticles with focus on gene-based targeted cancer therapeutics and enhanced vaccines against infectious diseases.
  • In silico study of transcriptional biomolecular condensates.

Honors

  • Member of the steering committee of the Institute of Accelerating Systems and Applications (IASA), affiliated with the Departments: Medicine, Physics (NKUA), and Electrical and Computer Engineering, Chemical Engineering (NTUA); 2021 –
  • Horizon 2020-Excellent Science MSC-Global Fellowship at the Inst. for Medical Engineering and Science, MIT, Cambridge MA, USA, 2019 - 2021.
  • Fulbright Fellow at the Dept. of Chemical Engineering, MIT, Cambridge MA, US, 2015 - 2016.
  • Core member of The European Materials Modeling Council 2014 -
  • Fellowship from the Greek Atomic Energy Committee toward a Doctorate thesis at the National Center for Scientific Research "Demokritos" , 1987.

Projects

  • Hellenic Foundation for Research and Innovation (ΕΛ.ΙΔ.Ε.Κ.):  “ENGETACT-Engineering Gene-based Nanoparticles: A computer-aided study toward Targeted Cancer Therapeutics ”, Project ID 1003/B Section “Engineering and Technological Sciences”  (2019-2021)
  • Coordinator of the 2nd Germany-Greece Bilateral R&D Cooperation: “Adsorptive Transformation for Energy Storage”  (2018 - 2021). Partners: Universität Leipzig, Fraunhofer-Institut für Solare Energiesysteme ISE, Freiburg, and FAHRENHEIT GmbH, Munich.
  • MSC-IF-GF, Horizon 2020: “Simulating the dynamics of viral evolution: A computer-aided study toward engineering effective vaccines”  (2019 -2021).
  • Coordinator of the 1st Germany-Greece Bilateral R&D Cooperation: “Adsorptive Transformation for Energy Storage”  (2013 - 2015). Partners: Fraunhofer-Institut für Solare Energiesysteme ISE, Freiburg; SORTECH GmbH, Halle.
  • EU Coordinator of the FP7 Program CP-FP 233502: “AMCOS - Advanced Materials as CO2 Removers: A Computational Study of CO2 Sorption Thermodynamics and Kinetics”  (2009-2012). (Partners: National Technical University of Athens, Universität Leipzig, Universitá degli Studi di Sassari, Institut de Recherches sur la Catalyse et l’ Environnement de Lyon, CNRS, National Environmental Engineering Research Institute, Nagpur, Institute of Chemical Technology Mumbai, Indian Institute of Technology Madras, Indian Institute of Chemical Technology, Hyderabad).

Selected publications

  • A. Nasou, E. Pantatosaki, G. K. Papadopoulos, “A Simulation Study of the Effect of Naturally Occurring Point Mutations on the SRY-DNA Complex”, J. Phys. Chem. B, in press (2022).
  • J. Guo, D. Wang, E. Pantatosaki, H. Kuang, G. K. Papadopoulos, M. Tsapatsis, and E. Kokkoli, “A Localized Enantioselective Catalytic Site on Short DNA Sequences and Their Amphiphiles”, JACS, 2, 483 (2022).
  • E. Pantatosaki; G.K. Papadopoulos, “Binding Dynamics of siRNA with Selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism”, J. Chem. Theory Comput., 16, 6, 3842 (2020).
  • T. Splith, P. D. Kolokathis, D. Fröhlich, K. Zhang, G. Füldner, C. Chmelik, J. Jiang, S. K. Henninger, F. Stallmach, and G. K. Papadopoulos; “Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(Al), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation”, J. Phys. Chem. C , 121, 18065 (2017).
  • Fröhlich, D.; Pantatosaki, E.; Kolokathis, P. D.; Markey, K.; Reinsch, H.; Baumgartner, M.;  van der Veen, M. A.;  Stock, N.; Janiak, C.; Papadopoulos, G. K. “Water adsorption behaviour of CAU-10-H: A thorough investigation of its structure-property relationships”, J. Mater. Chemistry A,  4, 11859 (2016).
  • P. Kowalczyk, P. Gauden, A. Terzyk, E. Pantatosaki, G.K. Papadopoulos; "Constant Pressure Path Integral Gibbs Ensemble Monte Carlo Method", J. Chem. Theory Comput.  9,  2922 (2013).

Personal interests

  • Shooting skeet (champion mastery)