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

该资助将为2019年8月21日至23日在宾夕法尼亚州费城宾夕法尼亚大学举行的题为“纳米材料力学建模和模拟的最新进展”的研讨会提供支持。不同尺度的材料模型和模拟，包括量子、原子或连续体描述，在理解和预测材料行为方面起着至关重要的作用。然而，它们在加速材料发现方面的应用尚未充分发挥其潜力，因为在实现对微观结构-性能关系的真正预测性理解方面仍然存在严重困难。本次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，讨论将使我们更接近这一目标的计算进步。为此，会议将通过规模聚集建模和仿真前沿的专家，包括高级和初级与会者。这笔赠款将帮助支持科学界最年轻成员的旅行和注册费用。这个为期三天的研讨会将由11个会议组成，按主题组织，包括电子结构计算，原子建模，微观结构演变的连续体方法和尺度桥接技术。研讨会还将设有海报环节，学生和博士后将能够展示他们的工作。最后，会议将在会议间隙提供充足的休息时间，以促进与会者之间的讨论并促进合作。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值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.