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

The Computational Materials Science and Engineering GRC is a premier, international scientific conference focused on advancing the frontiers of science through the presentation of cutting-edge and unpublished research, prioritizing time for discussion after each talk and fostering informal interactions among scientists of all career stages. The conference program includes a diverse range of speakers and discussion leaders from institutions and organizations worldwide, concentrating on the latest developments in the field. The conference is five days long and held in a remote location to increase the sense of camaraderie and create scientific communities, with lasting collaborations and friendships. In addition to premier talks, the conference has designated time for poster sessions from individuals of all career stages, and afternoon free time and communal meals allow for informal networking opportunities with leaders in the field.

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.