Dear Colleagues,

Abstract submission is now open for the XXVII International Materials Research Congress (IMRC), which will take place in Cancun, Mexico on August 19-24 2018. We invite you to submit abstracts to Symposium D1: Computational Discovery of Advanced Materials. The absract submission deadline is March 15, 2018.

This symposium focuses upon theoretical and computational progress toward discovery and in silico characterization of advanced material structure and properties. The technological and scientific drivers include high-throughput materials screening (e.g. materials genome) as well as prediction and analysis for experimentally difficult-to-access conditions. Major advances in computation of structural, electronic, magnetic, optical, and superconducting properties of materials will be covered. Underlying advances in theory and algorithms will be integral components of presentations by leading innovators. Physical systems range nano-clusters to solids in extreme thermodynamic states. Example materials categories include two-dimensional systems, transport in molecular-scale junctions, structure and response in highly confined crystals, strongly correlated materials, insulator-metal transitions, molecular magnets and multi-ferroic assemblies, etc. Emphasis is on first-principles methods, well-controlled approximations, and the looming exa-scale computing environment. Cross-connection with relevant innovations in quantum chemistry and machine learning techniques will be made. Efficient code implementation, especially in novel architectures, also will be covered where relevant.

Topics of interest include: