The Role of Theories, Simulation, and Machine Learning in Materials Discovery

Computational approaches have permeated every field of materials science and engineering (MS&E). However, researchers frequently focus on specific areas of applications, and therefore synergies among different methodologies have not fully been achieved. The purpose of this GRC is to bring together computational MS&E researchers from a variety of application fields, including structural materials, polymer science, energy conversion/storage materials, quantum materials, and biological materials to highlight recent developments and best practices across the sub-disciplines of MS&E. The 2024 Theme is “The Role of Theories, Simulation, and Machine Learning in Materials Discovery,” focusing on the grand challenges in each of these areas, as well as linking and integration of various approaches. A Gordon Research Seminar (GRS) for students and postdoctoral fellows will be held prior to the conference to enable junior researchers to share their research with their peers.