IMBB - WebCalendar

Time:

16:00-17:00

Location:

Computer Science Department, room A115 (ground floor), Voutes

Description:

MST Colloquium Monday, November 6, 2017

Speaker: Prof. George Froudakis

Affiliation: Department of Chemistry, University of Crete

Title: “Designing novel Nanoporous Materials for applications in Energy, Environment and Health”.

Location: Computer Science Department, room A115 (ground floor), Voutes

Time: 16:00

Language: English

Abstract:
A combination of ab-initio, Monte Carlo and Molecular Dynamics techniques is used for designing novel nanoporous materials for various
applications. Hydrogen, methane and CO2 storage, natural gas processing, drug delivery
and flexible electronics are some of the tasks that will be addressed
and their connection to nanoporous materials will be analyzed. Different type of strategically designed novel nanoporous materials like: Nanotube and Molecular Pillared Graphene [1], Porous Nanotube Networks [2], Super Diamond, Metal and Covalent Organic Frameworks [3-4], will be presented and their structural and electronic properties
will be discussed. In addition, the root for the improvement of materials' properties with molecular engineering will be also
demonstrated [5]. Finally, a new computational methodology for large-scale screening of
materials with the use of Machine Learning algorithms (ML) will be introduced [6].

References
[1] “Pillared Graphene: A New 3-D Network Nanostructure for Enhanced
Hydrogen Storage” Dimitrakakis, G. K.; Tylianakis, E.; Froudakis, G.
E. Nano Letters 8 (2008) 3166-3170.
[2] “Porous nanotube network: a novel 3-D nanostructured material with
enhanced hydrogen storage capacity” E. Tylianakis, G. Dimitrakakis, S.
Melchor, J.A. Dobado and G.E. Froudakis, Chem. Commun., 47(2011)2303-2305.
[3] "Designing 3-D COFs with enhanced hydrogen storage capacity." E. Klontzas, E. Tylianakis, G.E. Froudakis, Nano Letters, 10 (2010) 452–454.
[4] “Improving Hydrogen Storage Capacity of MOF by Functionalization of the Organic Linker with Lithium Atoms.” Klontzas, E.; Mavrandonakis,
A.; Tylianakis, E.; Froudakis, G. E. Nano Letters 8 (2008) 1572- 1576.
[5] “Enhancement of hydrogen adsorption in Metal-Organic Frameworks by
the incorporation of the sulfonate group. A multiscale computational study”, A. Mavrandonakis, E. Klontzas, E. Tylianakis, G.E Froudakis, J. Am. Chem. Soc., 131 (2009) 13410–13414.
[6] “Chemically intuited, large-scale screening of MOFs by machine learning techniques”, Borboudakis, G; Steriannakos, T; Frysali, M;
Klontzas, E.; Tsamardinos, I; Froudakis, G.E.;, Nature Computational Materials 40 (2017) xxx-xxx.

Host: Anna Mitraki 4095

Time:

16:30-17:30

Location:

Physics Dept. 3rd-floor seminar room

Description:

Atomic Molecular and Optical Physics Seminar

Reaction Product Imaging: Chemistry in Quantum Detail
Dr. Petros Samartzis - FORTH-IESL

Wednesday November 08 2017 @ 16:30, Physics Dept. 3rd-floor seminar room

Seminar schedule available online at http://amo.physics.uoc.gr/Seminars_gb.html

Time:

12:00-13:00

Location:

“Seminar Room 1”, FORTH’s bldg

Description:

IMBB SEMINAR

Ioannis CHARALAMPOPOULOS
Assistant Professor of Pharmacology
School of Medicine
University of Crete

Title: "The p75 neurotrophin receptor: from structure-function mapping to development of novel ligands for neurorepair in the adult brain"

Friday, November 10th 2017 @ 12:00
“Seminar Room 1”, FORTH’s bldg

Host: Inga Siden-Kiamos