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About this Symposium
Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Sponsorship TMS Functional Materials Division
TMS Materials Processing and Manufacturing Division
TMS Structural Materials Division
TMS: Chemistry and Physics of Materials Committee
Organizer(s) Vahid Attari, Texas A&M University
Sara Kadkhodaei, University Of Illinois At Chicag
Eva Zarkadoula, Oak Ridge National Laboratory
Damien Tourret, IMDEA Materials
James R. Morris, Ames Laboratory
Scope This ongoing TMS symposium series focuses on Computational Thermodynamics and Kinetics (CTK) of materials over a broad range of scales covering from the atomic to macroscale, and including applications to materials design, synthesis, processing, and service. The ability to compute thermodynamic and kinetic properties and further utilization of these information on other CTK methods is rapidly transforming the field of materials science and engineering. This year, we welcome submissions relating to novel developments and applications of CTK methods to explore new phenomena across different scales in novel materials. In addition to fundamental CTK methods, we encourage abstracts regarding uncertainty quantification and machine-learning assisted modeling of thermodynamics and kinetics properties of functional materials and recent advances in computational methods and algorithms for microstructure modeling. Submissions are welcome from all facets of CTK, such contributions dealing with fluids, interfaces, phase transformations (e.g. melting, solidification), and soft matter.

Topics of choice for this year include, but are not limited to:

- Computational approaches for materials discovery and design,
- Computational models of phase prediction, equilibria, stability, and transformations,
- Novel approaches to predict properties (mechanics, chemistry, transport, etc.) of materials,
- Machine learning assisted computational modeling of materials behaviour,
- Uncertainty quantification for phase-equilibria and/or phase transition modeling,
- The effect of external and internal constraints e.g., elastic/plastic/electric/magnetic/etc. fields and internal degree of freedoms on microstructure of materials,
- Computational studies of the role of phonons, magnons, and other excitations in the stabilization of phases and/or phase transformations,
- Experimental studies for validation of thermodynamic and kinetic modeling approaches.

Abstracts Due 07/01/2021
Proceedings Plan Planned: None Selected
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE
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