EXTMOS Summer School

From Molecules to Organic Electronics Materials
1-7 October 2018
24th course of the International School of Liquid Crystals

EXTMOS project contributing to this summer school has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 646176

About the School

The School will bring together top specialists of the EXTMOS consortium, lecturing on topics that in many cases they have themselves pioneered, providing participants a clear view of this rapidly developing field. Topics will cover aspects related to organic electronics ranging from theory (quantum Chemistry calculations, dopant/host interactions at molecular level), predictive mesoscopic multiscale modelling (atomistic and coarse grained), charge transport in doped organic semiconductors. kinetic Monte Carlo procedures, characterization, model validation, processing, device fabrication, circuit design applications and markets. There will be hands-on sessions running the EXTMOS multiscale modelling package. The school is organized within the frame of the International School of Liquid Crystrals (ISCL) at the Ettore Majorana Centre for Scientific Culture. The Majorana Centre is located in the old pre-mediaeval city of Erice where three restored monasteries provide an appropriate setting. These ancient buildings are now named after great Scientists and strong supporters of the Ettore Majorana Centre.

Practical Informations


Please remember that you should arrive in Erice on October 1 (preferably not later than 8 p.m. at Palermo airports). The transfer from the airport to Erice and back will be organised by the secretariat of the School using shuttle cars or minivans that will wait for groups of participants (the service is free for participants) at the airport. In order to be able to offer the service we ask participants to send us details (arrival time, flight number etc.) as soon as they are available.


The lectures of the School will finish on the evening of 6 October and the participants that are not attending a following meeting are expected to leave on 7 October.


The lodgings will be provided in rooms of the ancient Erice monasteries and in some hotels in Erice, all in walking distance from the conference site and with free Wi-Fi available. Each room is en-suite with shower and WC. As some accommodations (especially for young students) will be in double rooms we would like to ask if you have any preferences as to the choice of roommate.


Breakfast will be in the dining room of the Centre. Lunch and dinner will be at restaurants which work in connection with the Centre (please notice that drinks are not included). Details and list of restaurants will be given at your arrival.


Erice is a village sited at the top of a small mountain (750 meters above sea level) and there the climate is a bit different from the other parts of Sicily. Even in summer it is not really hot and in the evening it is a bit windy; in October it is expected to be chilly or foggy.

Practical informations



Centre for Scientific Culture "E. Majorana", Via Guarnotta 26, 91016 Erice (TP) Italy
Phone n. +39+923+869133 http://www.ccsem.infn.it

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How to reach

There are many flights from Rome and Milan to Palermo and Trapani. A shuttle service of the E. Majorana Centre will be available at the airport to drive participants to Erice.

a Via Milan-Rome, you can reach Trapani directly. From Trapani, to reach Erice comfortably, a taxi is suggested.

1) Drive along the highway A1 via Milan-Bologna-Florence-Rome-Naples-Reggio Calabria; then take a ferry-boat from Villa San Giovanni to Messina and drive to Erice (350 km from Messina).

2) Take the ferry-boat either from Genoa or Naples to Palermo, and then drive on to Erice (100 km from Palermo).

Speakers and topics include

David Beljonne, University of Mons on
Charge-transport in carbon-based materials: A microscopic view

Peter Bobbert, Technische Universiteit Eindhoven on
Molecular-scale modeling of charge transport and excitonics in organic devices

Thierry Deutsch, Commissariat à l'Energie Atomique et aux energies alternatives - Institut Nanosciences et Cryogénie Grenoble (CEA) on
Applications of Wavelet-Based Density Functional Theory

Ivan Duchemin, Commissariat à l'Energie Atomique et aux energies alternatives - Institut Nanosciences et Cryogénie Grenoble (CEA) on
Electronic and optical properties of organic systems with embedded many-body perturbation theory

Artem Fediai, Karlsruher Institut fur Technologie (KIT) on
Doping-induced phenomena in organic semiconductors: insights from kMC simulations

Pascal Friederich, Karlsruher Institut fur Technologie (KIT) on
Design principles for charge carrier mobility and anisotropic orientation of organic semiconductors

Johannes Gierschner, Madrid Institute for Advanced Studies​ on
Organic solid state emitters by design

Giacomo Londi, University of Mons on
Efficient exciton diffusion in a donor-acceptor conjugated dye for solar cells applications: Theoretical insights

Ahmed Nejim, Silvaco Europe Ltd on
Device level design for the microelectronic industry

Tobias Neumann, Nanomatch Gmbh Karlsruhe on
Performing multiscale OLED simulations using industry-ready software

Yoann Olivier, University of Mons on
Dissecting the nature of the relevant singlet and triplet excited states in TADF molecular materials

Frank Ortmann, Technical University Dresden on
Ab Initio-Based Approach to the Density of States of Doped Organic Semiconductors and
Theoretical Prediction of the Density of States of n-Doped Organic Films and Comparison to Experiments

Cedric Rolin, Interuniversitair Micro-Electronica Centrum (IMEC) on
Impact of contact resistance on the integration of organic thin film transistors

Otello Maria Roscioni, Lara Querciagrossa, Matteo Ricci, University of Bologna on
Atomistic and Coarse-Grained modelling and simulation

Guillaume Schweicher, University of Cambridge on
Structure-Property Relationships in Thienoacenes for Improved Charge Transport and
OFET and Charge Transport in Small Molecule Organic Semiconductors

Alexander Smith, University of Bath on
Simulating organic semiconductors: the challenge of amorphous materials

Ian Thompson, University of Bath on
Modelling charge transport in organic semiconductors at the mesoscale

Wolfgang Wenzel, Karlsruher Institut fur Technologie (KIT) on
Multiscale Modelling and Molecular Design of Organic Semiconductor Materials

Alison Walker, University of Bath and EXTMOS Coordinator
100% Organic: Understanding organic electronics from molecules to devices

G.A.H. Wetzelaer, Max Planck Gesellschaft zur Förderung der Wissenschaften E.V., Institut für Polymerforschung (MPG) on
Injection, transport, and recombination of charges in organic-semiconductor diodes

Burag Yaglioglu, FlexEnable Limited Ltd on
FlexEnable’s OTFT Technology and its Applications

Claudio Zannoni, University of Bologna on
Modeling morphologies by Molecular Dynamics

Hands-On Sessions

Franz Symalla and Timo Strunk (Nanomatch GmBH) will give hands-on sessions on the Extmos multiscale model

Ahmed Nejim, (Silvaco Europe Ltd) will give hands-on sessions using the Silvaco TCAD software, for which your own laptop with the LINUX CentOS 7 operating system installed is required (can be installed on a virtual machine).

Preliminary Programme

Registration Info

Warning: registration deadline is fixed by 17 of September

The registration fee is 800 € (400 € for non-attending guests), inclusive of the following: full board accommodation (lodging, breakfast at San Rocco Center, lunch and dinner, coffee breaks). School participants are allowed to have lunch and dinner in any of the restaurants in Erice connected to the "E. Majorana" center. A list of permitted restaurants will be provided upon your arrival. Transportation from Palermo or Trapani airport to Erice and back only if arranged previously with the school. Please provide your flight information when contacted back by the school after registration or anyway before your departure. Be aware that in absence of information a shuttle service cannot be arranged and you must provide a transportation by yourself. Taxi ride can be very expensive and not refundable.


The flat fee for full board accommodation and the shuttle transportation from and to Palermo or Trapani airport (800 Euro) can be paid in Erice, upon registration, in cash or alternatively by bank transfer into the following account:

Unicredit Private Banking S.p.A. Filiale di Trapani, Italy
Account number: 000600000655
Bank code: ABI: 03223 - CAB: 16400 - CIN: W
IBAN: IT 04 W 03223 16400 000600000655
holder: FEMCCS Ettore Majorana Foundation and Centre for Scientific Culture

If the last method of payment is used, please be sure that your name and INTERNATIONAL SCHOOL OF LIQUID CRYSTALS, 24th Course - EXTMOS appear on the receipt/copy of the transaction which you will be requested to present upon your arrival in Erice. WE REMIND PARTICIPANTS THAT CREDIT CARDS ARE NOT ACCEPTED AT THE SECRETARIAT OF THE CENTRE.

Registration form

By submitting this form you authorize your personal data to be treated for the purpose of school registration in respect to the General Data Protection Regulation (GDPR).

Due to constraints on the number of participants, people from outside the EXTMOS project are kindly requested to send a CV by email to extmos.erice2018@gmail.com


School Email



A. Walker (a.b.walker@bath.ac.uk) for EXTMOS info
P. Pasini (paolo.pasini@bo.infn.it) for ISLC and Erice logistics info
C. Zannoni (claudio.zannoni@unibo.it) for EXTMOS and ISLC info

Organizing Committee

Paolo Pasini (paolo.pasini@bo.infn.it)
Lara Querciagrossa (lara.querciagrossa2@unibo.it)
Silvia Orlandi (s.orlandi@unibo.it)