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How Do We Control Material Processes at the Level of Electrons? Theoretical modeling of soft (sparsely packed) matter Progress on Grand Challenge • • • Since 2007 there has been an explosion in methods for treating dispersion (van der Waals) interactions within density functional theory -> methods range from semi-empirical corrections (such as the Grimme and Tkatchenko-Scheffler methods) to truly non-local correlation functionals (like the van der Waals density functional and similar variants) Current accuracy approaching that of Quantum Chemical methods like CCSD(T) New insights also being gained from QMC calculations Remaining Challenge • • • • Despite significant progress, the grand challenge for theoretical studies of soft matter remains Limited accuracy coupled with the multitude of approaches that need to be unified still make it difficult to fully realize the original grand challenge Need for closer collaboration between theory and experiment Challenges are tractable and can be tackled in the next decade New Horizons for Grand Challenge These new techniques have now afforded studies of structure, function and electronic properties of soft-matter, new horizons include understanding magnetic properties (which has largely been ignored in recent advances). Refreshed Grand Challenge? The current grand challenge statement for softmatter should remain with updates including new classes of layered materials like dichalcogenides etc. Submitted by: Valentino Cooper Affiliation: Oak Ridge National Laboratory