Description |
Online Application Link: https://onlineapps.ictp.it/ENTER/APPLICANT/2874.mhtml DEADLINES for applying: If financial support or visa required: 15 March 2016 If NO financial support or visa required: 15 May 2016
Nowadays, computational materials science has several challenges: 1) keep the accuracy of the model to appropriately obtain the physical properties of the materials; 2) integrate the methodologies available for the different time and length scales, ranging from electronic, atomistic to mesoscopic and continuum levels required to study some physical-chemical phenomena and 3) provide key information to be directly applied in the energy sector at an industrial level.
This College aims to bring a multiscale view of the materials modelling techniques for energy applications. More specifically, a multiscale methodology ranging from atomistic to mesoscopic and continuum methods will be presented with potential use of materials for industrial applications in: (i) fuel cells and catalysts, (ii) rechargeable batteries, (iii) solar energy conversion and solar fuels, (iv) semiconductors for light emitting technologies and (v) oil recovery techniques. It will also include general lectures on the socio economic impact related to the choice of energy technologies, experimental challenges and engineering challenges. - Big Picture Challenges - Experimental Challenges - Engineering Challenges - Socio-Economic and Political Challenges - Multiscale Computational Modeling of Materials - Fuel Cells - Batteries - Enhanced Oil Recovery - Nanostructured Materials for Energy Applications
The College is aimed at physicists and engineers, experts in energy applications, either carrying out research or working in the academic or industrial sector in the field, and with a background in computer simulations related to condensed matter physics, chemistry or materials science. Participants are encouraged to make a poster. If interested, kindly submit a short one-page abstract of the contribution (size A4), attached to the online application. As the event will be conducted in English, participants should have adequate working knowledge of this language.
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Outside Kastler lecture hall, Adriatico Guest House - lower level 1 (opposite the Eklund Laboratory). Only for those Visitors receiving daily allowance/travel reimbursement, after registration, please go to ICTP Operations office, at Enrico Fermi building, terrace level, with your name badge/identity documents (Open Monday to Friday from 8.30 to 12.00 and 13.30 to 14.30).
Organizers: Alejandro FRANCO (LRCS - UPJV & CNRS, Amiens, France) Ralph GEBAUER (ICTP, Trieste, Italy) Caetano R. MIRANDA (University of Sao Paulo, Brazil) Federico ROSEI (INRS-EMT, Varennes, Canada) Nicola SERIANI (ICTP, Trieste, Italy)
Open materials challenges: Engineering and socio-economic perspectives
Speaker: | Flavia CASSIOLA (Shell) |
Speaker: | Kourosh MALEK (Simon Fraser University) |
Material: | MALEK Notes.pdf MALEK abstract.pdf |
From ab-initio to classical molecular dynamics
Speaker: | Maria CHAN (Argonne National Laboratory) |
Speaker: | Xingao GONG (Fudan University) |
Material: | GONG Abstract.Pdf |
Speaker: | Stefano FABRIS (CNR-IOM) |
Material: | FABRIS abstract.pdf |
From molecular dynamics to lattice Boltzmann approaches
Speaker: | Stefano UBERTINI (University of Tuscia) |
Material: | UBERTINI abstract.pdf |
Speaker: | Edo BOEK (University of Cambridge) |
Material: | BOEK abstract.pdf |
Speaker: | Stefano UBERTINI (University of Tuscia) |
From molecular dynamics to lattice Boltzmann approaches
Speaker: | Stefano UBERTINI (University of Tuscia) |
Speaker: | Stefano UBERTINI (University of Tuscia) |
From atomistic simulations to larger scales
Speaker: | Caetano MIRANDA (University of Sao Paulo) |
Material: | MIRANDA Notes.pdf MIRANDA abstract.pdf |
Speaker: | Karsten REUTER (TUM Munich) |
Material: | REUTER abstract.pdf |
Career development for scientists
Speaker: | Maria CHAN (Argonne National Laboratory) |
From molecular dynamics to lattice Boltzmann approaches
Speaker: | Caetano MIRANDA (University of Sao Paulo) |
Material: | MIRANDA Hands-on Notes.pdf |
Speaker: | Caetano MIRANDA (University of Sao Paulo) |
POSTER SESSION - I
Career development for scientists
Speaker: | Francesca BALETTO (King's College London) |
From ab-initio to classical molecular dynamics
Speaker: | Francesca BALETTO (King's College London) |
Material: | BALETTO Francesca second talk.pdf |
Combining density functional theory with Monte Carlo techniques
Speaker: | Mie ANDERSEN / Juan LORENZI (TUM Munich, Germany) |
Material: | ANDERSEN and LORENZI abstract.pdf |
Speaker: | Mie ANDERSEN / Juan LORENZI (TUM Munich, Germany) |
From ab-initio to classical molecular dynamics
Speaker: | Francesca BALETTO (King's College London) |
Material: | BALLETTO Francesca Hands on Session.pdf |
Speaker: | Francesca BALETTO (King's College London) |
Combining density functional theory with Monte Carlo techniques
Speaker: | Mie ANDERSEN / Juan LORENZI (TU Munich) |
Speaker: | Mie ANDERSEN / Juan LORENZI (TU Munich) |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Kurt STOKBRO (Quantumwise A/S, Copenhagen) |
Material: | STOKBRO Notes.pdf STOKBRO abstract.pdf |
Speaker: | Alejandro FRANCO (University of Picardie) |
Material: | FRANCO Notes Part I.pdf |
Speaker: | Partha MUKHERJEE (Texas A&M University) |
Material: | MUKERJEE Partha first abstracr.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Partha MUKHERJEE & Aashutosh MISTRY (Texas A&M University) |
Material: | MISTRY Hands-on Notes.pptx |
Speaker: | Partha MUKHERJEE & Aashutosh MISTRY (Texas A&M University) |
Computational high-throughput techniques for materials optimization
Speaker: | Ivan KONDOV (KIT) |
Material: | KONDOV abstract I.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Partha MUKHERJEE (Texas A&M University) |
Material: | MUKHERJEE Parth second abstract.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Alejandro FRANCO (University of Picardie) |
Material: | FRANCO Hands-on Continuum.pdf FRANCO Hands-on KMC.pdf |
Speaker: | Alejandro FRANCO (University of Picardie) |
Speaker: | Kurt STOKBRO (QuantumWise A/S, Copenhagen) |
Material: | STOKBRO Hands on Abstract.pdf |
Computational high-throughput techniques for materials optimization
Speaker: | Ivan KONDOV (KIT) |
Material: | KONDOV abstract II.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Alejandro FRANCO (University of Picardie) |
Material: | FRANCO Notes Part II.pdf |
Computational high-throughput techniques for materials optimization
Speaker: | Ivan KONDOV (KIT) |
Material: | KONDOV Hands-on Notes.pdf KONDOV Hands-on Part I.pdf Kondov Tutorial.Pdf |
Speaker: | Ivan KONDOV (KIT) |
Material: | KONDOV Hands-on Notes.pdf KONDOV Hands-on Part II.pdf KONDOV Tutorial.pdf |
Poster Session - II
Computational high-throughput techniques for materials optimization
Speaker: | Boris KOZINSKY (Bosch Research and Technology Center, Cambridge, MA, U.S.A.) |
Material: | KOZINSKY first abstract |
Speaker: | Giovanni PIZZI (EPFL, Lausanne) |
Material: | PIZZI Notes AiiDA Introduction.pdf PIZZI abstract I.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Maurizio FERMEGLIA (Rector, University of Trieste, Italy) |
Material: | FERMEGLIA abstract.pdf Fermeglia Notes.pdf |
Computational high-throughput techniques for materials optimization
Speaker: | Boris KOZINSKY (Bosch), Giovanni PIZZI (EPFL), Fernando GARGIULIO (EPFL), Martin UHRIN (EPFL), Snehal WAYCHAL (EPFL) and Spyros ZOUPANOS (EPFL) |
Speaker: | Boris KOZINSKY (Bosch), Giovanni PIZZI (EPFL), Fernando GARGIULIO (EPFL), Martin UHRIN (EPFL), Snehal WAYCHAL (EPFL) and Spyros ZOUPANOS (EPFL) |
Speaker: | Federico ROSEI (INRS-EMT, Varennes, Quebec) |
Material: | ROSEI Notes.ppt |
Computational high-throughput techniques for materials optimization
Speaker: | Boris KOZINSKY (Bosch), Giovanni PIZZI (EPFL), Fernando GARGIULIO (EPFL), Martin UHRIN (EPFL), Snehal WAYCHAL (EPFL) and Spyros ZOUPANOS (EPFL) |
Speaker: | Boris KOZINSKY (Bosch), Giovanni PIZZI (EPFL), Fernando GARGIULIO (EPFL), Martin UHRIN (EPFL), Snehal WAYCHAL (EPFL) and Spyros ZOUPANOS (EPFL) |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Giovanni PIZZI (EPFL, Lausanne) |
Material: | PIZZI abstract II.pdf |
Multi-scale modeling: From the atomistic to the mesoscopic scale
Speaker: | Boris KOZINSKY (Bosch Research and Technology Center, Cambridge, MA, U.S.A.) |
Material: | KOZINSKY second abstract |
Open materials challenges: Engineering and socio-economic perspectives
Speaker: | Tsukuru OHWAKI (NISSAN ARC Ltd., Yokosuka, Japan) |
Material: | OHWAKI abstract.pdf |