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

这笔赠款为2019年8月21日至23日在宾夕法尼亚州费城的宾夕法尼亚大学举办的题为“纳米材料力学建模和仿真的最新进展”的研讨会提供支持。不同尺度的材料模型和模拟，包括量子描述、原子描述或连续描述，在理解和预测材料行为方面发挥着至关重要的作用。然而，由于在实现对微观结构-性能关系的真正预测性理解方面仍然存在严重的困难，它们在加速材料发现方面的使用尚未发挥其全部潜力。本研讨会旨在通过回顾最先进的技术和确定需要解决的主要挑战，讨论使我们更接近这一目标的计算技术进步。为此，会议将通过天平聚集建模和仿真前沿的专家，包括高级和初级参与者。这笔赠款将帮助资助科学界最年轻成员的旅费和注册费用。这次为期三天的研讨会将包括11个会议，按主题组织，包括电子结构计算、原子模拟、微观结构演化的连续体系方法和规模桥接技术。研讨会还将以海报展示为特色，学生和博士后将能够展示他们的作品。最后，会议将在两次会议之间有充分的休息时间，以促进与会者之间的讨论并帮助促进合作。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

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.