Scope:
Computational materials science is a dynamic and rapidly developing field that is essential for the characterization and creation of new materials. Combined with high-resolution, high-precision experimental methods and data/information science, computer simulation is facilitating a materials revolution by enabling complex systems to be analyzed and designed from the nano-scale upwards. It thus has a vital role to play in addressing many pressing problems facing society in the areas of energy, health, environment, transport, and manufacturing. This symposium will focus on state-of-the-art computational methods, from electronic and atomic structure first-principles methods to continuum models (including dislocation dynamics, phase-field modeling, and multiscale methods) and their application to advanced metals, ceramics, and polymer materials. Presentations are expected to foster lively and multifaceted discussions of how computational materials science can provide insights into materials phenomena such as electrical and thermal conductivities, (multi)ferroicity, magnetism, catalysis, thermal properties, optics, phase transitions, grain growth, and sintering. Contributions from the burgeoning field of materials informatics and use of AI or quantum computing are particularly welcome.
Topics:
1. Computational materials science
2. AI, materials informatics and materials design
3. Grain boundaries, surfaces and other interfaces and defects
4. Functional and structural materials (incl. nanomaterials)
5. Electronic structure and atomistic simulation methods (for either classical or quantum computers)
6. Microsopic continuum matter models and multiscale simulation methods