Track F
Designing Materials for Sustainable Energy Applications

Su-Huai WEI, Beijing Computational Science Research Center, China

Rajeev AHUJA, Uppsala University, Sweden
Johannes GIERSCHNER, IMDEA Nanoscience, Spain
Jianwen JIANG, National University of Singapore, Singapore
Yousung JUNG, Seoul National University, South Korea
Sergey V. LEVCHENKO, Center for Energy and Technology (CEST), Russia
Jeffrey LOPEZ, Northwestern University, USA
Fumiyasu OBA, Tokyo Institute of Technology, Japan
Gianfranco PACCHIONI, University Milano Bicocca, Italy
Mariachiara PASTORE, CNRS & Universite de Lorraine, France
Michele PAVONE, University of Naples, Italy
Karsten REUTER, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany
David SCANLON, University College London, UK
Nicola SERIANI, International Centre for Theoretical Physics, Trieste, Italy
Siqi SHI, Shanghai University, China
Isao TANAKA, Kyoto University, Japan
David BELJONNE, University of Mons, Belgium
Maria K.Y. CHAN, Argonne National Laboratory, USA
Yifei CHEN, Tianjin University, China
Jake HUANG, Colorado School of Mines, USA
Hyungjun KIM, KAIST, South Korea
Andrew RAPPE, University of Pennsylvania, USA
Karsten REUTER, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany
Peter VESBORG, Denmark Technical University, Denmark
Su-Huai WEI, Beijing Computational Science Research Center, China
Vesselin YAMAKOV, NASA Langley Research Center, USA
Computational materials science has already demonstrated its capability in modelling structure and functional properties for guided design of novel materials. However a more general approach to materials with predictive power of their evolution under operating conditions of realistic systems spanning diverse time and length scales is now emerging as a major challenge requiring integration of electronic, atomic, mesoscale and continuum methods, complemented by data-driving science and artificial intelligence, to establish a unified predictive framework.  
This Track will highlight progress in: i-theory and multiscale modelling of the complex processes governing the behaviour of materials for energy harvesting, storage and conversion; ii-design of novel active energy materials and modelling their behaviour under simulated operating conditions. 
Materials and devices for electrochemical energy conversion and storage, photovoltaics, thermoelectrics as well as solar fuels and catalysts will be covered.
Submitted abstracts on the above topics will deserve special interest if joining computation with experimental approaches.
Session Topics

F-1 Electrochemical energy systems (fuel cells, rechargeable batteries, supercapacitors; solar fuels)

F-2 Photovoltaics

F-3 Thermoelectrics

F-4 Catalysts and catalytic processes for energy applications


Cimtec 2024

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