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About this Symposium
Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Materials Genome, CALPHAD, and a Career over the Span of 20, 50, and 60 Years: An FMD Sympoisum in Honor of Zi-Kui Liu
Sponsorship TMS Functional Materials Division
TMS Structural Materials Division
TMS Materials Processing and Manufacturing Division
TMS: Alloy Phases Committee
TMS: Integrated Computational Materials Engineering Committee
Organizer(s) Yu Zhong, Worcester Polytechnic Institute
Richard A. Otis, Jet Propulsion Laboratory
Bi-Cheng Zhou, University of Virginia
Chelsey Z. Hargather, New Mexico Institute of Mining and Technology
James Edward Saal, Citrine Informatics
Carelyn E. Campbell, National Institute of Standards and Technology
Scope This symposium is to celebrate the impact of Professor Zi-Kui Liu on the fields of computational materials science and materials design on the occasion of his 60th birthday, the 20th anniversary of Prof. Liu coining the term “Materials Genome”, and the progress of computational thermodynamics (CALPHAD) in the last 50 years as the foundation of materials design.

To honor the broad range of Professor Liu’s research on metals, ceramics, battery materials, and 2D materials, the symposium will highlight work that integrates theory with computational and experimental investigations and that utilizes a multidisciplinary approach. The symposium will focus on thermodynamics with internal processes in terms of theory, prediction, modeling, and applications. Consequently, this symposium welcomes contributions from all these aspects, including but not limited to the following topics

• Theory of reversible and irreversible thermodynamics
• Development of computational tools for thermodynamics
• Determination of thermodynamic properties through density functional theory, machine learning models, ab initio molecular dynamic simulations, and experiments
• Thermodynamic modeling through the CALPHAD method and statistical mechanics
• Applications of thermodynamics for rational and inverse design of chemistry and synthesis of materials, simulation of kinetic processes and deformation, and understanding of complex phenomena.

Abstracts Due 07/01/2022
Proceedings Plan Undecided
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