National Technical University of Athens
School of Chemical Engineering
Department of Materials Science and Engineering
Computational Materials Science and Engineering Group (Co.M.S.E.)
 
 
 
 
News

28 March 2024
The Chemical Engineering department of the Technical University of Denmark (DTU) is seeking a motivated PhD student who is willing to be part of a world-leading research environment and contribute to the development of thermodynamic models and algorithms for electrolyte solutions. The appointment of this PhD position will be at the Center for Energy Resources Engineering (CERE), Department of Chemical and Biochemical Engineering. Click here for more information.

PhD and Postdoctoral opportunities in Applied Knot Theory at ASU. Click here for more information.
6 December 2023
PhD and Postdoctoral opportunities in Applied Knot Theory at ASU. Click here for more information.

20 November 2023
Two PhD positions are available within the framework of the European Network "ReBond". Click here and here for more information.

19 September 2023
PhD position available in Computational Chemistry/Polymers Degradation funded by PlasticUnderground Marie Curie ITN. Click here for more information.

2 September 2023
Masters, PhD, Postdoctoral and Project-Manager positions are available at FORTH-IESL in the field of Synthesis, Experiments and Modelling/Simulations of Soft Matter systems (with emphasis in Polymers and Colloids) for Green and sustainable applications. Click here for more information.

2 September 2023
A PhD position on molecular-dynamics simulations of thermomechanical behaviour of epoxy-copper interfaces is available starting from January 2024 in the Soft Matter and Biological Physics (SMB) group of the Applied Physics department of TU/e. The project will be supervised by prof. dr. Alexey Lyulin. Click here for more information.

12 June 2023
On Friday, the 7th of July, 2023, two distinguished professors from the USA will visit the Computational Materials Science and Engineering (CoMSE) group at NTUA: Professor Bradley Chmelka (Department of Chemical Engineering, University of California, Santa Barbara) and Professor Eleni Panagiotou (School of Mathematical and Statistical Sciences, Arizona State University). In the context of their visit they will give lectures on their research work, with the following titles:
Prof. Bradley Chmelka; Compositional and structural order at inorganic-organic interfaces.
Prof. Eleni Panagiotou; Novel topological metrics of entanglement in polymers. The lectures will be given in the Koumoutsos room of the School of Chemical Engineering at NTU Athens, starting at 14:00. Click here for more information.

25 April 2023
The 2023 European Conference on Computational and Theoretical Chemistry, co-organized by the Greek Chemists Association and the Division of Computational and Theoretical Chemistry of the European Chemical Society will be held in Thessaloniki, 27-31 August 2023. Click here for more information.

06 April 2023
Doctoral thesis presentation: On Monday, April 24, our PhD student, Mr. Constantinos Revelas, will defend his Doctoral thesis, entitled: "Development of Self-Consistent Field Theory Models for Predicting the Structure and Properties of Inhomogeneous Polymer Systems: Application in Nanocomposite Materials" in front of his seven-member examination committee. The defense will take place at the Koumoutsos room of the Chemical Engineering School at 13:00.
Click here to read an extended summary of the PhD.

04 April 2023
Sincerest congratulations to our group leader, Prof. Doros Theodorou, on publishing his autobiography in the Journal of Physical Chemistry B. It is published as a special issue (Festschrift) on the occasion of his 65th birthday. The special issue was edited by Ed Maginn, Ioannis Economou, Randy Snurr, and Arup Chakraborty.
Click here to see the cover page or here to access the complete virtual special issue.

03 April 2023
Sincerest congraluations to our PhD students, Mr. Georgios Mikaelian and Mr. Fotis Venetsanos, on winning a doctoral fellowship from the Hellenic Foundation of Research and Innovation (aka ELIDEK). Very well deserved!

24 March 2023
Multiple postdoc positions available at MIT in the research laboratory of Richard Braatz on the integrated continuous manufacturing of mRNA-based biotherapeutics.
Click here to find more details on the position and submission process.




Read all news...
News

28 March 2024
The Chemical Engineering department of the Technical University of Denmark (DTU) is seeking a motivated PhD student who is willing to be part of a world-leading research environment and contribute to the development of thermodynamic models and algorithms for electrolyte solutions. The appointment of this PhD position will be at the Center for Energy Resources Engineering (CERE), Department of Chemical and Biochemical Engineering. Click here for more information.
6 December 2023
The group of Prof. Eleni Panagiotou searches for highly motivated graduate students and postdocs in research projects funded by the National Science Foundation (NSF) and the National Institutes of Health (NIH). Recent graduates with mathematical background (not necessarily a degree in mathematics) and with interest in topology and interdisciplinary research will be considered for graduate positions. Recent PhD holders in mathematics or a related field, with interest in pure and computational mathematics will be considered for Postdoctoral positions and could begin as early as January 2024. Interested applicants are welcome to send their CV by email at: Eleni.Panagiotou@asu.edu.
20 November 2023
Two PhD positions are available within the framework of the European Network "ReBond". Click here and here for more information.
19 September 2023
PhD position available in Computational Chemistry/Polymers Degradation funded by PlasticUnderground Marie Curie ITN.
Click here for more information.
2 September 2023
Masters, PhD, Postdoctoral and Project-Manager positions are available at FORTH-IESL in the field of Synthesis, Experiments and Modelling/Simulations of Soft Matter systems (with emphasis in Polymers and Colloids) for Green and sustainable applications.
Click here for more information.
2 September 2023
A PhD position on molecular-dynamics simulations of thermomechanical behaviour of epoxy-copper interfaces is available starting from January 2024 in the Soft Matter and Biological Physics (SMB) group of the Applied Physics department of TU/e. The project will be supervised by prof. dr. Alexey Lyulin.
Click here for more information.
12 June 2023
On Friday, the 7th of July, 2023, two distinguished professors from the USA will visit the Computational Materials Science and Engineering (CoMSE) group at NTUA: Professor Bradley Chmelka (Department of Chemical Engineering, University of California, Santa Barbara) and Professor Eleni Panagiotou (School of Mathematical and Statistical Sciences, Arizona State University). In the context of their visit they will give lectures on their research work:
  • Prof. Bradley Chmelka, Compositional and structural order at inorganic-organic interfaces (abstract)
  • Prof. Eleni Panagiotou, Novel topological metrics of entanglement in polymers (abstract)
The lectures will be given in the Koumoutsos room of the School of Chemical Engineering at NTU Athens, starting at 14:00. Click here and here for more information in English and Greek.
25 April 2023
The 2023 European Conference on Computational and Theoretical Chemistry, co-organized by the Greek Chemists Association and the Division of Computational and Theoretical Chemistry of the European Chemical Society will be held in Thessaloniki, 27-31 August 2023.
Click here for more information.
06 April 2023
Doctoral thesis presentation: On Monday, April 24, our PhD student, Mr. Constantinos Revelas, will defend his Doctoral thesis, entitled: "Development of Self-Consistent Field Theory Models for Predicting the Structure and Properties of Inhomogeneous Polymer Systems: Application in Nanocomposite Materials" in front of his seven-member examination committee. The defense will take place at the Koumoutsos room of the Chemical Engineering School at 13:00.
Click here to read an extended summary of the PhD.
04 April 2023
Sincerest congratulations to our group leader, Prof. Doros Theodorou, on publishing his autobiography in the Journal of Physical Chemistry B. It is published as a special issue (Festschrift) on the occasion of his 65th birthday. The special issue was edited by Ed Maginn, Ioannis Economou, Randy Snurr, and Arup Chakraborty.
Click here to see the cover page.
Click here to access the complete virtual special issue.
03 April 2023
Sincerest congraluations to our PhD students, Mr. Georgios Mikaelian and Mr. Fotis Venetsanos, on winning a doctoral fellowship from the Hellenic Foundation of Research and Innovation (aka ELIDEK). Very well deserved!
24 March 2023
Multiple postdoc positions available at MIT in the research laboratory of Richard Braatz on the integrated continuous manufacturing of mRNA-based biotherapeutics.
Click here to find more details on the position and the submission process.
17 March 2023
On Thursday, April 6, 2023, Prof. Thanos Panagiotopoulos from Princeton University, member of the National Academy of Engineers of the US and the Americal Academy of Arts and Sciences, will give a presentation with the following title: "Sequence dependent phase-separation and aggregation in model proteins". The presentation will take place at the Koumoutsos room of the School of Chemical Engineering at 15:00.
Click here for an abstract of the talk.
02 February 2023
Doctoral position available in the field of molecular simulations of Vitrimers, in the group of Prof. Karatrantos (argyrios.karatrantos@list.lu) at the Luxembourg Institute of Science and Technology.
Click here to apply for the vacancy.
18 January 2023
Diploma, Master's and Ph.D. Thesis opportunities in Molecular Simulation of Materials at the National Hellenic Research Foundation.
Click here for additional information.
17 September 2022
Dr. Juan Francisco Vega from the Biophysics of Macromolecular Systems (BIOPHYM) group in the Instituto de Estructura de la Materia of the Spanish Consejo Superior de Investigaciones Cientificas (CSIS) will be our distinguished guest on Thursday, October 13, 2022. Dr. Vega will deliver a lecture entitled "Eco-design of Commodity Polymers for Packaging: Experiments and Computer Simulations." The lecture will take place at the Koumoutsos room at 17:00.
Click here for an abstract of the talk.
20 June 2022
Post-Doctoral position available in the group of Prof. Harmandaris at the Institute of Applied and Computational Mathematics (IACM) of the Foundation of Research and Technology Hellas (FORTH). The vacancy opened in the context of a collaboration with the Goodyear Tire and Rubber Company, the University of Goettingen (Prof. Dr. Marcus Mueller) and the University of Tennesse at Knoxville (Prof. Manolis Doxastakis).
Click here for additional information.
06 June 2022
Sincerest congratulations to Spyros Kallivokas, PhD 2020, on winning the prize for the best oral presentation in the area of Polymers and Nanocomposites at the 13th Panhellenic Scientific Chemical Engineering Conference, Patras, Greece, June 2022. The title of Dr. Kallivokas' lecture, based on his PhD thesis work, was "Towards a New Equation for the Interfacial Failure of Nanocomposites".
04 April 2022
Post-Doctoral position available in the group of assistant Professor Eleni Panagiotou at the University of Tennessee-Chattanooga.
Click here for additional information.
09 January 2022
On Wednesday, 12 of January, a former member of the group, Mr. Konstantinos Zinelis (Diploma Thesis 2017) will give us a seminar on his current research work. The title of the talk is "Spray formation in Viscoelastic Fluids". The seminar will take place virtually via Webex at 13:00.
Click here for the abstract of the talk.
16 November 2021
Sincerest congratulations to our group leader, Prof. Doros Theodorou, for receiving the FOMMS (Foundations of Molecular Modeling and Simulation) award 2022. This Medal honors "profound and lasting contributions by one or more individuals to the development of computational methods and their application to the field of molecular-based modeling and simulation." Very well deserved!
Click here to see the official announcement.
08 November 2021
On the 9th of November 2021, Mr. Apostolos Lakkas will defend his Doctoral thesis, entitled: "Self-Consistent Field Theory for Inhomogeneous Homolymers and Grafted Polymers" in front of his seven-member examination committee. The defense will take place virtually via WebEx at 09:00.
Click here to join the meeting.
21 September 2021
The members of the group are delighted to announce that this semester we are hosting Mr. Miguel Herranz Feito, a finishing Ph.D. student working with Nikos Karayiannis in Manolo Laso's group at the Universidad Politecnica de Madrid. Miguel is visiting us on a scholarship granted by the Spanish government and he has kindly agreed to give us a seminar on his work at UPM. The seminar will take place virtually via Webex on Friday the 24th of September, at 11:00.
Click here to join the meeting.
01 July 2021
Diploma thesis presentation: On the 8th of July 2021, Mr. Aggelos Drougkas will present his Diploma Thesis, entitled "Atomistic simulations of graphene membranes embedded in epoxy matrices under compression" in front of his three-member examination committee. The presentation will take place virtually via webex at 16:00.
Click here to join the meeting.
01 July 2021
Diploma thesis presentation: On the 8th of July 2021, Mr. Giorgos Sakellion will present his Diploma Thesis, entitled "Molecular simulations of discotic molecules in the crystal phase" in front of his three-member examination committee. The presentation will take place virtually via webex at 13:30.
Click here to join the meeting.
01 July 2021
Diploma thesis presentation: On the 7th of July 2021, Mr. Giorgos Mikaelian will present his Diploma Thesis, entitled "In silico study of a central neural system drug in hydrated lipid bilayers" in front of his three-member examination committee. The presentation will take place virtually via webex at 12:00.
Click here to join the meeting.
01 July 2021
Diploma thesis presentation: On the 5th of July 2021, Ms. Ermioni Haralambopoulou will present her Diploma Thesis, entitled "Computational study of surface-active agents through coarse-grained molecular dynamics simulations" in front of her three-member examination committee. The presentation will take place virtually via webex at 18:00.
Click here to join the meeting.
17 May 2021
Ph.D. positions available under the international Program in Mathematical and Physical Sciences for Advanced Materials and Technologies of the University of Naples, Italy. Candidates must have a strong academic record and must have obtained their Master's degree before October 2021. Students interested in applying for a Ph.D. in the area of molecular modeling and simulation of materials in the context of the program may contact Prof. Giuseppe Milano, giuseppe.milano@unina.it, with copy to Prof. Doros Theodorou, doros@central.ntua.gr.
Click here for more details.
10 November 2020
On the 17th of November 2020, Mr. Spyros Kallivokas will defend his Doctoral thesis, entitled: "Study of the mechanical properties of interfaces in nanocomposites via molecular simulations" in front of his seven-member examination committee. The defense will take place virtually via WebEx at 16:00.
Click here to join the meeting.
17 September 2020
Warmest congratulations to Dr. Aris Sgouros for receiving the Iakovos Giourounlian Award for 2019 from the Michael N. Stasinopoulos Public Benefit Foundation, for his PhD Thesis.
5 May 2020
There is an available PhD position at the Universite de BORDEAUX, under Dr. Jean-Marc Leyssale, entitled: "Molecular simulation of gas adsorption and transport in flexible porous carbons : coupling chemistry, mechanics, adsorption and transport".
Click here for more details.
11 February 2020
On Friday, 14 of February, Mr. Tzortzis Koulaxizis will present his Diploma Thesis: "Estimation of the configurational properties of single unperturbed polymer chains using coarse-grained Monte Carlo simulations". The presentation will take place at the Koumoutsou hall at 14:00.
Click here for an abstract of the talk

9 December 2019
On Thursday, 19 of December, Dr. Faedon Z. Brotzakis from Oxford University, will make a presentation with the following title: "Structure and Dynamics of Biomolecular Systems by Combining Enhanced Sampling Molecular Simulations and Experimental Data". The presentation will take place in the meeting room of Sector III at 15:00.
Click here for an abstract of the talk

26 September 2019
Diploma thesis presentation: On the 1st of October 2019, Christina Zois will present her Diploma Thesis, entitled "Molecular Simulations of Epoxy Resins with Water Ingress" in front of her three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 15:00.
Click here for an abstract of the talk

29 August 2019
Warmest congratulations to Dr. Aris Sgouros for receiving the 2019 award from DIMITRIS N. CHORAFAS FOUNDATION, for his PhD Thesis.
2 August 2019
On Friday, 30 of August, Miss Ariadni Boziki from EPFL, will make a presentation with the following title: ""Computational studies of the structural and optical properties of organic-inorganic lead halide perovskites". The presentation will take place in "Nikos Koumoutsos" hall of the Chemical Engineering building at 11:00. Click here for the abstract of the presentation. See you all there!
5 July 2019
On Tuesday, 9th of Juny, at 10:00, Dr. Julija Zavadlav, Dr. Xin Bian and Ms. Ermioni Papadopoulou researchers of the Computational Science and Engineering Lab in ETH Zurich will give us three talks regarding their latest works. The meeting will be held at "Nikos Koumoutsos" Room. We are looking forward to seeing you all.
Update:
Click here to download the presentation of Prof. Theodorou.
1 July 2019
Diploma thesis presentations: On 2nd of July 2019, two of our undergraduate students will present their Diploma Thesis in front of their three-member examination committees:
19 June 2019
On Friday, 28 of June, Professor Masao Doi from Beihang University, will make a presentation with the following title: "When droplets of colloidal solutions dry on a substrate". The presentation will take place in "Nikos Koumoutsos" hall of the Chemical Engineering building at 11:00. Click here for the abstract of the presentation.
14 May 2019
Mrs Marnie Papamatthaiou made an article regarding CoMSE Lab, published in tanea.gr! Click here for the full article.
7 March 2019
Ph.D. thesis presentation: On the 12th of March 2019, Nikolaos Tzounis will present his Ph.D. Thesis, entitled "Prediction of Conformational and Mixing Properties of Polymers relevant to Lithographic Applications through Atomistic Simulations" in front of his seven-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 15:00.
Click here for an abstract of the talk
4 March 2019
Ph.D. thesis presentation: On the 7th of March 2019, Aris Sgouros will present his Ph.D. Thesis, entitled "Atomistic and Mesoscopic Simulations of the Interfacial Dynamics of Polymer Melts" in front of his seven-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 10:30.
Click here for an abstract of the talk
15 February 2019
Diploma thesis presentation: On the 18th of February 2019, Evgenia Kountoupi will present her Diploma Thesis, entitled "Application of the MARTINI force field to coarse-grained atomistic simulations" in front of her three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 14:00.
Click here for an abstract of the talk

12 February 2019
Diploma thesis presentation: On the 14th of February 2019, Vaggelis Tsoxantaris will present his Diploma Thesis, entitled "Generation of elastomeric networks of polyethylene with variable architecture" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 13:00.
Click here for an abstract of the talk

12 December 2018
Professor Fanourios Tamamis from Texas A&M University, will make a presentation with the following title: "From amyloids in diseases to amyloid materials: Using computers to investigate amyloid inhibition and to design novel materials". The presentation will take place in the Seminar room in ΣEMΦE at 18:00.
10 December 2018
Professor Theodorou has been invited for presenting the seventh distinguished lecture honoring "Alkiviadis Ch. Pagiatakis" taking place in ITE/IEXMH at 17 December 2018, at 18:00.
Update
Some images from the event!
28 July 2018
Warmest congratulations to Dr. Georgios Vogiatzis for being awarded for the best thesis in the field of Computational Mechanics in Greece, for the year of 2015. The corresponding award will be presented during the Greek Association of Computational Mechanics (GRACM) conference (held triennially) at 4-6 June, at Chania, Crete.
12 June 2018
Sincerest congratulations to our new PhD student, Mr. Constantinos Revelas, on winning the Limmat prize for finishing his Chemical Engineering studies with the second highest score (9.54/10.00).
26 March 2018
On 26 March 2018 DSM honoured Professor Dr. Doros Theodorou, from the National Technical University of Athens in Greece, with the 2018 Life Time Achievement Award in Materials Sciences. Prof. Dr. Doros Theodorou received the honour at DYFP 2018, the international conference on Deformation, Yield, and Fracture of Polymers, in Kerkrade, the Netherlands.

For more information click here!
16 March 2018
Ph.D. thesis presentation: On the 19th of March 2018, Orestis George Ziogos will present his Ph.D. Thesis, entitled "Multiscale Simulations of Discotic Materials" in front of his seven-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 12:00.
Click here for an abstract of the talk
16 March 2018
New Year's Pie Cutting photographs: On the 20th of February 2018, our group celebrated the coming of the new year in a traditional manner by cutting the New Year's Pie! Below you will find a photograph and video moments taken during the event, along with pictures taken during the decoration of our Lab Christmas Tree on the 6th of December 2017!

Video moment 1: pie cutting
Video moment 2: the champagne!
Video moment 3: pie gift award
9 October 2017
On the 17th of September 2017, Prof. Doros N. Theodorou was awarded with the European Materials Medal, in recognition of development of new statistical mechanics-based molecular and multiscale simulation methods for the calculation of thermodynamic, structural, interfacial, and permeability properties of polymeric materials, and zeolites.

28 July 2017
Sincerest congratulations to our Master thesis student Dora Argyropoulou on winning a postgraduate studies scholarship of the Bodossaki Foundation.
7 July 2017
Master thesis presentation: On the 11th of July 2017, Georgios Kissas will present his Master Thesis, entitled "A Computational Study of Self-Consistent Field Theory for Polymer Interfaces" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 10:30.
7 July 2017
Master thesis presentation: On the 11th of July 2017, Stefanos Konstantinopoulos will present his Master Thesis, entitled "Molecular Simulations of Graphene-based Materials for Organic Electronics" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 11:30.
30 June 2017
Diploma thesis presentation: On the 4th of July 2017, Theodora Myrto Perdikari will present her Diploma Thesis, entitled "Atomistic Simulations of Lamellar Nanostructures of Amphiphilic Disc-like Molecules" in front of her three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 14:00.
23 June 2017
Master thesis presentation: On the 26th of June 2017, Christos Bardas will present his Master Thesis, entitled "Atomistic Simulations of Carbon Nanotube - Polymer Matrix Nanocomposites" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 16:00.
1 June 2017
Sincerest congratulations to our Master thesis student Stefanos Konstantinopoulos on winning a poster presentation award of the 11th Panhellenic Scientific Conference on Chemical Engineering held in Thessaloniki, Greece, 25-27 May, 2017 for his work "Atomistic Simulations of Disc-like Nanographene Liquid Crystals".
29 March 2017
New Year's Pie Cutting photographs: On the 17th of February 2017, our group celebrated the coming of the new year in a traditional manner by cutting the New Year's Pie! Below you will find the photographs taken during the event.


13 March 2017
Invited talk: On the 30th of March 2017 at 16:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Dr. Marco Sant, post-doctoral associate from the Universita degli Studi di Sassari, will give a lecture titled "Development of DFT-Based Force Fields for Atomistic Simulations in Microporous Materials".
Click here for an abstract of the talk
21 February 2017
Diploma thesis presentation: On the 6th of March 2017 at 10:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Virginia Ampntoulchanti will present her Diploma Thesis, entitled "Atomistic simulations of medicine into lipid membranes" in front of her three-member examination committee.
Click here for an abstract of the talk (in Greek)
9 December 2016
Invited talk: On the 22nd of December 2016 at 16:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Mr. Phaedon Brotzakis, PhD student from the University of Amsterdam, will give a lecture titled "Discovering rough mountain peaks in the dark by using Transition Path Sampling Elucidating the mechanism and role of solvent for beta-lactoglobulin dimerization".
Click here for an abstract of the talk
9 December 2016
Invited talk: On the 28th of December 2016 at 12:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Dr. Polydefkis Diamantis, post-doctoral associate from the University of Basel, will give a lecture titled "Theoretical Investigation of the Interaction of Ligands with Heme Proteins".
Click here for an abstract of the talk
18 November 2016
Ph.D. thesis presentation: On the 21st of November 2016, Ioannis Mathioudakis will present his Ph.D. Thesis, entitled "Atomistic Simulation of Polymer Nanocomposites" in front of his seven-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 10:00.
29 October 2016
Master thesis presentation: On the 3rd of November 2016, Andreas Balafoutis will present his Master Thesis, entitled "Mechanical response of elastomers: thermodynamical analysis based on molecular simulation" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 15:00.
30 June 2016
Master thesis presentation: On the 14th of July 2016, Lefteris Koulierakis will present his Master Thesis, entitled "Atomistic Simulations of Poly(Dimethylsiloxane) and Poly(Lactic Acid) Polymer Systems for Directed Self-Assembly Applications" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 12:00.
Click here for an abstract of the talk
30 May 2016
Master thesis presentation: On the 1st of June 2016, Spyros Kournopoulos will present his Master Thesis, entitled "Cavitation Rate in Elastomers: A Geometric Free Volume Analysis Approach" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 14:00.
22 April 2016
Warmest congratulations to our Master thesis student Stefanos Konstantinopoulos on winning the award for the best diploma thesis of Sector III of the School of Chemical Engineering, NTUA, for the academic year 2015.
6 April 2016
Sincerest congratulations to our post-doctoral researcher Dr. Georgios Vogiatzis on winning the award for the best PhD thesis in the field of Computational Mechanics in Greece during 2015 by the Greek Association of Computational Mechanics (GRACM) and for his nomination for the ECCOMAS PhD Olympiad 2016.
2 March 2016
Invited talk: On the 10th of March 2016 at 16:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Ms. Rallia Iliana Velliou, M.S. from Imperial College London, will give a lecture titled "Prediction of Melting Points of Organic Compounds Through Molecular Simulation".
Click here for an abstract of the talk
25 January 2016
Sincerest congratulations to our post-doctoral researcher Dr. Stefanos Anogiannakis on winning the Honor for best Doctoral Thesis for the academic year 2012 by the School of Chemical Engineering, NTUA.
20 January 2016
New Year's Pie Cutting photographs: On the 18th of January 2016, our group celebrated the coming of the new year in a traditional manner by cutting the New Year's Pie! Below you will find the photographs taken during the event.



9 October 2015
Diploma thesis presentation: On the 14th of October 2015, Konstantinos Manikas will present his Diploma Thesis, entitled "Molecular Simulations of Glassy Atactic Polystyrene" in front of his three-member examination committee. The presentation will take place in conference/seminar room of Tomeas III (Phase B of ChemE building) at 10:00.
9 October 2015
Diploma thesis presentation: On the 14th of October 2015, Stefanos Konstantinopoulos will present his Diploma Thesis, entitled "Atomistic Simulations of Nanographene Discotic Liquid Crystals" in front of his three-member examination committee. The presentation will take place in the "Nikos Koumoutsos" hall of the Chemical Engineering building at 17:15.
29 September 2015
Invited talk: On the 23rd of December 2015 at 11:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Mr. Phaedon Brotzakis, Ph.D. student at the University of Amsterdam, will give a lecture titled "Stability and self assembly mechanism of synthesized anti freeze peptides nanotubes using Transition Path Sampling".
Click here for an abstract of the talk
23 July 2015
Invited talk: On the 31st of August 2015 at 11:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building, Dr. Manolis Doxastakis from Argonne National Laboratory, Illinois US, will give a lecture titled "Simulations at the interface: protein association in lipid membranes, polymer adsorption on surfaces and reaction-diffusion in polymer films".
Click here for an abstract of the talk
23 July 2015
Diploma thesis presentation: On the 24th of July 2015, Anastasia Nikolakopoulou will present her Diploma Thesis, entitled "Molecular Simulations of Free Films of Linear Polyethylene in Atomistic Representation" in front of her three-member examination committee. The presentation will take place in the conference/seminar room of Tomeas III (Phase B of ChemE building) at 10:00.
23 July 2015
Group party photographs: On the 2nd of July 2015, a farewell party to Dr. Georgios Vogiatzis was held on the occasion of his recent departure to join our Armed Forces. Below you will find the photographs taken during the event (courtesy of Dr. Christos Tzoumanekas; plus a photograph from a street label from Volos, Greece, that celebrates Polymer Science).

26 June 2015
Seminar announcement: The 13th Co.M.S.E. group seminar with take place on the 6th of July at 16:00 at the "Nikos Koumoutsos" hall of the Chemical Engineering building. Prof. Vissarion Papadopoulos of the School of Civil Engineering will give a lecture titled "Hybrid Multiscale Simulation of Carbon Nanotube Reinforced Composites".
Click here for an abstract of the talk
8 June 2015
Internships Available at Scienomics. For more information see the following link.
Detailed information about internship positions
6 May 2015
A crash course on molecular simulations is offered by the Computational Science and Engineering Group on May 13, 2015. For more information see the following link.
Course program
18 February 2015
Two new doctoral candidate positions and one post-doctoral researcher position are available in the CoMSE Group at NTUA in the context of the research programme "Multiscale Simulations of Complex Polymer Systems" (MuSiComPS), carried out in collaboration with the University of Patras thanks to the generous support of the Limmat Foundation, Zurich, Switzerland. These new positions are available immediately (starting date 1 March 2015) for one year, with the possibility of extension for two additional years.
Detailed information about doctoral candidate positions
Detailed information about post-doctoral researcher position
16 February 2015
Warmest congratulations to diploma thesis student Stefanos Konstantinopoulos on winning the "N. Kritikos" scholarship and the "Ch. Papakyriakopoulou" award of the School of Chemical Engineering of NTUA.
5 February 2015
Congratulations to Professor Doros N. Theodorou on his election to the U.S. National Academy of Engineering.
"National Academy of Engineering Elects 67 Members and 12 Foreign Members"
1 February 2015
Sincerest congratulations to Ph.D. student Orestis G. Ziogos on winning a prestigious Siemens Fellowship of the National Scholarship Foundation (IKY) of Greece.
1 June 2013
Sincerest Congratulations to our doctoral student Panagiotis D. (Takis) Kolokathis on winning the first prize of the 9th Panhellenic Scientific Conference on Chemical Engineering held in Athens, Greece, 23-25 May, 2013 for his paper "Reduction of the Dimensionality of Local Free Energy Profiles of Benzene in the Zeolite Silicalite-1: Computation of Diffusion Coefficients Using Transition State Theory".
15 December 2012
Sincerest congratulations to George G. Vogiatzis on winning an award from the Hellenic Polymer Society (HPS) for his poster "Local Polymer Dynamics in Polystyrene - C60 Mixtures", presented at the 9th conference of HPS in Thessaloniki, 27 November - 1 December 2012.
15 December 2012
Warmest congratulations and best wishes to our doctoral student George G. Vogiatzis on winning the prestigious "Thomaideion" award in an NTU-wide competition for the best Diploma Thesis of the year 2010.