Participant Support for the Eighth Triennial Conference on Foundations of Molecular Modeling and Simulation (FOMMS 2022)

第八届分子建模与模拟基础三年一度会议 (FOMMS 2022) 的参与者支持

• 批准号: 2224189
• 负责人: Jeffrey Errington
• 金额: $ 4.84万
• 依托单位: SUNY at Buffalo
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-07-01 至 2023-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2224189&HistoricalAwards=false
• 关键词: Participant; Support; Eighth; Triennial; Conference

This grant will make it possible for 26 graduate students, 10 postdocs, and 7 plenary speakers from underrepresented groups to attend the 8th triennial conference on the Foundations of Molecular Modeling and Simulation (FOMMS 2022) to be held in Delavan, WI on July 17-21, 2022. Molecular-level modeling and simulation are ubiquitous tools for advancing science and engineering in applications ranging from the design of new materials to understanding how drug molecules interact with protein receptors in the body. The FOMMS conference series was initiated in 2000 to foster interaction among academic, national laboratory, and industrial molecular researchers developing and applying molecular-based computational methods. FOMMS 2022 will feature 18 plenary speakers, one keynote speaker, a FOMMS Metal Lecture, workshops with an educational focus, and two poster sessions. With no parallel sessions, the meeting structure is designed to encourage interaction between established and early career researchers and promote mentoring of the latter. The diverse and international selection of invited speakers strikes a balance between industrial and academic researchers.The theme of FOMMS 2022 is “Molecular Modeling and the Data Revolution,” recognizing the increasingly important role of data science within the molecular modeling and simulation community. Artificial intelligence, machine learning, cluster analysis, and advanced visualization techniques now figure prominently in the computationally efficient analysis of the dynamic behavior of molecules in response to their environment and molecular neighbors. Molecular-level modeling is an increasingly powerful tool for predicting the properties of materials and molecular systems and for obtaining insights into their structure/property relationships. These methods find applications in areas ranging from polymers to catalysts to pharmaceuticals. The description of molecular modeling encompasses quantum chemical chemistry, molecular dynamics and Monte Carlo simulations, meso-scale modeling including field theoretic and particle-based coarse-grained simulations, multiscale simulation methods that bridge ab-initio MD and hybrid QM/MM methods, and the application of these methods for the discovery of molecules using these approaches augmented by AI. These topics will be explored by the 26 graduate students, 10 postdocs, and 7 plenary speakers supported by this grant to attend FOMMS 2022. A diverse slate of speakers from the U.S., Europe, and Asia have been selected to address the challenges and opportunities that currently exist in molecular-level simulations and among them, those researchers supported with this funding will play a crucial role in the success of this meeting. The Division of Chemical, Bioengineering, Environmental, and Transport Systems, and the Division of Materials Research contributed funds to this award.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.

这项赠款将使来自代表性不足的小组的26名研究生，10名博士后和7名全体会议者参加第8届三年三年级会议，即分子建模和仿真基础（FOMMS 2022）（FOMMS 2022）将于7月17日至21日在WI，2022年7月17日在威斯康星州Delavan举行。新材料以了解药物分子如何与体内蛋白质接收器相互作用。 FOMMS会议系列于2000年启动，以促进学术，国家实验室和工业分子研究人员的相互作用，开发和应用基于分子的计算方法。 Fomms 2022将以18个全体扬声器，一名主题演讲者，一个金属演讲，具有教育意义的工作坊和两个海报会议。没有平行的会议，会议结构旨在鼓励建立和早期职业研究人员之间的互动并促进后者的心理。潜水员和国际邀请的演讲者在工业研究人员和学术研究人员之间取得了平衡。2022年Fomms的主题是“分子建模和数据革命”，认识到数据科学在分子建模和模拟社区中越来越重要的作用。现在，人工智能，机器学习，聚类分析和高级可视化技术在对分子对环境和分子邻居的响应的动态行为的计算有效分析中显着。分子级建模是一种越来越强大的工具，用于预测材料和分子系统的性质，并获得对其结构/特性关系的见解。这些方法在从聚合物到催化剂到药物的区域中找到了应用。分子建模的描述包含量子化学化学，分子动力学和蒙特卡洛模拟，中尺度建模，包括现场理论和基于粒子的粗粒仿真，多尺度模拟方法，这些方法桥接了AB-Initio MD和Hybrid QM/MM方法，以及使用这些方法发现这些方法的方法来应用这些方法。这些主题将由26名研究生，10个博士后和7名全体会议者探索，并得到了这笔赠款的支持，参加了2022年Fomms 2022。来自美国，欧洲和亚洲的一批发言人，他们被选中以应对目前在分子级模拟中存在的挑战和机遇，其中这些研究人员与此合适的研究人员一起扮演了这一竞选活动，将扮演这一成功的角色。化学，生物工程，环境和运输系统以及材料研究部为该奖项贡献了资金。该奖项反映了NSF的法定任务，并使用基金会的智力优点和更广泛的影响审查标准，通过评估被认为是珍贵的支持。