Workshop on Recent Advances in the Modeling and Simulation of the Mechanics of Nanoscale Materials; Philadelphia, Pennsylvania; August 21-23, 2019

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This grant provides support for the workshop entitled "Recent Advances in the Modeling and Simulation of the Mechanics of Nanoscale Materials," at the University of Pennsylvania in Philadelphia, Pennsylvania, August 21-23, 2019. Material models and simulations at different scales, encompassing quantum, atomistic or continuum descriptions, play a crucial role in the understanding and prediction of material behavior. However, their use for accelerated material discovery has not yet served its full potential due to the severe difficulties that still exist in achieving a truly predictive understanding of microstructure-property relations. This workshop aims at discussing the computational advances that will bring us closer to this goal, by revisiting the state-of-the-art and identifying the major challenges to be solved. For this, the meeting will gather experts at the forefront of modeling and simulation through the scales, including senior and junior participants. This grant will help support the travel and registration expenses of the youngest members of the scientific community.This three day workshop will be comprised of 11 sessions, organized by themes, including electronic structure calculations, atomistic modeling, continuum approaches for microstructure evolution and scale bridging techniques. The workshop will also feature a poster session where students and postdocs will be able to present their work. Finally, the meeting will include ample breaks in between sessions to foster discussions among the participants and help catalyze collaborations.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.