Symposium Y:

Computational Modeling and Data Driven Materials Discovery

Never before has the need for new materials or accelerated materials based design solutions been as urgent as it is now. These include the need for new materials for newly emerging bio-safety and security challenges, alternative materials in nanoscale devices as we swiftly approach design limits with existing materials or developing new materials to meet rapidly rising environmental and energy challenges to mention just a few. Hence the pace of discovery and development in materials science has to significantly accelerate as we are quickly approaching the design limits of structures in a wide range of technologies due to the limits of materials behavior. The objective of this workshop is to establish a materials science research and education environment that meets this important global societal need. It will focus on materials design and development that targets fundamental science that can have a transformational impact on materials design. The development of this strategy is based on the concept of a “rational” discovery and design approach that integrates new computational methods into novel experimental and computational techniques for materials research. The motivation for this meeting is to address the need to develop alternative strategies for materials design that are not Edisonian in nature but can be built on theory based design strategies from the perspective of data intensive science. The lectures will explore the challenges of acquiring data via experimental or computational means as well as the analysis of that data through coupling it to theory and informatics methods that quickly but robustly address multiple length and time scales as well as explore a broad range of classes of materials.

The search for new or alternative materials, whether through experiment or simulation has been a slow and arduous task, punctuated by infrequent and often unexpected discoveries . Each of these findings prompts a flurry of studies to better understand the underlying science governing the behavior of these materials.

This symposium will  focus on new approaches to computational materials science that can when coupled  to informatics based computational techniques, which are founded on statistical learning techniques,  when combined with classical computational materials science techniques, can provide a powerful new computational framework for materials science.  The meeting will  cover a broad range of topics, including but not limited to :

• Computational modeling for new materials chemistries
• Mesoscale modeling and characterization
• Multiscale modeling techniques
• Data intensive experimental methods in materials science
• Materials informatics and statistical learning
• High performance computing for materials discovery
• Rational design for nanomaterials

We hope to use this symposium to also address how these new computational approaches can help to address pressing global issues such as energy, water and sustainability where materials science can help to solve critical technical problems.

Hot topics to be covered by the symposium:

• Next generation superconductors
• Nanomaterials
• Modeling and characterization for atomic scale spectroscopy and imaging

Invited speakers/talks (confirmed list):

• Walter Orellana - Universidad Andres Bello, Chile

Scientific Committee members (tentative list):

• Erik Holstrom (Valdivia, Chile)
• Ramiro Arratia (Santiago, Chile)
• Joge Kohanoff (Belfast, Northern Ireland)
• Ruben Weht (Buenos Aires, Argentina)
• A. J. Roque da Silva (University of Sao Paulo – USP - Brazil)
• L. Candido (University of Goias – UFG - Brazil)
• M. de Koning, University of Campinas (UNICAMP - Brazil)

Full papers: Journal of Materials Science (Springer) will publish Special ICAM 2009 issue(s) containing full papers of abstracts presented in this symposium provided such manuscripts are reviewed according to the Journal standards. Authors are invited, not obliged, to submit full length manuscripts.

For instructions, please check Full Papers Publication.

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