REU Site: Integration of Chemical Theory, Computation and Experiment at Duquesne University
REU 网站:杜肯大学化学理论、计算和实验的整合
基本信息
- 批准号:1950585
- 负责人:
- 金额:$ 39万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2020
- 资助国家:美国
- 起止时间:2020-05-01 至 2023-04-30
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
This Research Experiences for Undergraduates (REU) site award to Duquesne University, located in Pittsburgh, PA, supports the training of 10 students for 10 weeks during the summers of 2020-2022. Funded by the Division of Chemistry in the Mathematical and Physical Sciences Directorate, the Duquesne REU site impacts the education and professional chemistry careers of undergraduates and faculty from Appalachian regional institutions with limited research infrastructure and/or from underrepresented populations. Alongside conducting research that integrates computational and experimental chemistry, students receive training that reinforces the scientific method, scientific writing and speaking, ethics, safety, and workshops on state-of-the-art instrumentation to complement their experimental research. Faculty establish meaningful, year-round, and long-term research collaborations driven by the need for academic productivity and excellence in undergraduate training. Taken together, this REU site promotes collaborative science while training the next generation of chemists.Student research projects include the synthesis of non-addictive analgesics driven by computational prediction; developing theory for asymmetric catalyst design; understanding the wear of protective organic thin films on metals; and studying electron transfer processes in copper complexes. This site also offers research support for PUI/HBCU/LSAMP faculty, who in turn directly impact students and learning environments at their home institutions. Ultimately students expand their professional exposure and network to make more informed career decisions and best prepare for graduate school, while faculty are empowered through meaningful and productive academic collaboration.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.
位于宾夕法尼亚州匹兹堡的杜肯大学获得本科生研究体验 (REU) 网站奖,支持 2020 年至 2022 年夏季对 10 名学生进行为期 10 周的培训。杜肯 REU 站点由数学和物理科学理事会化学部资助,影响着研究基础设施有限的阿巴拉契亚地区机构和/或代表性不足的人群的本科生和教师的教育和专业化学职业。除了进行计算化学和实验化学相结合的研究外,学生还接受强化科学方法、科学写作和演讲、伦理、安全以及最先进仪器研讨会的培训,以补充他们的实验研究。在学术生产力和卓越本科生培训的需求的推动下,教师们建立了有意义的、全年的、长期的研究合作。总而言之,这个 REU 网站在培训下一代化学家的同时促进了协作科学。学生研究项目包括由计算预测驱动的非成瘾性镇痛药的合成;发展不对称催化剂设计理论;了解金属上保护性有机薄膜的磨损;并研究铜配合物中的电子转移过程。该网站还为 PUI/HBCU/LSAMP 教员提供研究支持,而这些教员反过来又直接影响学生及其所在机构的学习环境。最终,学生扩大了他们的专业视野和网络,以做出更明智的职业决策,为研究生院做好最好的准备,而教师则通过有意义和富有成效的学术合作获得授权。该奖项反映了 NSF 的法定使命,并通过使用基金会的评估进行评估,被认为值得支持。智力价值和更广泛的影响审查标准。
项目成果
期刊论文数量(14)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Effect of Fluorination on the Polymorphism and Photomechanical Properties of Cinnamalmalononitrile Crystals
- DOI:10.1021/acs.cgd.2c00930
- 发表时间:2022-11
- 期刊:
- 影响因子:0
- 作者:T. J. Gately;C. Cook;Raghad Almuzarie;I. Islam;Zachary S. Gardner;R. Iuliucci;R. Al‐Kaysi;G. Beran;C. Bardeen
- 通讯作者:T. J. Gately;C. Cook;Raghad Almuzarie;I. Islam;Zachary S. Gardner;R. Iuliucci;R. Al‐Kaysi;G. Beran;C. Bardeen
Learning From a Pandemic: Redesigning with Universal Design for Learning to Enhance Scientific Skills
从流行病中学习:利用通用设计进行重新设计,以学习提高科学技能
- DOI:
- 发表时间:2023
- 期刊:
- 影响因子:0.8
- 作者:Thomas D. Montgomery, Bridget M.
- 通讯作者:Thomas D. Montgomery, Bridget M.
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids?
混合密度泛函之外的模型是否会增加与有机固体中预测的 NMR 化学位移或电场梯度张量实验的一致性?
- DOI:10.1021/acs.jpca.2c07657
- 发表时间:2023
- 期刊:
- 影响因子:0
- 作者:Iuliucci, Robbie J.;Hartman, Joshua D.;Beran, Gregory J.
- 通讯作者:Beran, Gregory J.
Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography
- DOI:10.1021/acs.jpca.0c00421
- 发表时间:2020-04-23
- 期刊:
- 影响因子:2.9
- 作者:Holmes, Sean T.;Engl, Olivia G.;Iuliucci, Robbie J.
- 通讯作者:Iuliucci, Robbie J.
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{{ truncateString('Jeffrey Evanseck', 18)}}的其他基金
REU Site: Integration of Chemical Theory, Computation and Experiment at Duquesne University
REU 网站:杜肯大学化学理论、计算和实验的整合
- 批准号:
2244151 - 财政年份:2023
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
REU Site: Discovery by Computation, Theory and Experiment
REU 站点:通过计算、理论和实验发现
- 批准号:
1659823 - 财政年份:2017
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
MRI: SusChEM: Acquisition of a hybrid distributed computer system to enhance integration of chemical theory, computation, and experimental research at Duquesne University
MRI:SusChEM:购买混合分布式计算机系统,以增强杜肯大学化学理论、计算和实验研究的集成
- 批准号:
1726824 - 财政年份:2017
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
Integrated Computational and Experimental REU Site
综合计算和实验 REU 站点
- 批准号:
1263279 - 财政年份:2013
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
Scholarships for Academically Talented and Financially Disadvantaged Undergraduate and Graduate Students
为学术优秀且经济困难的本科生和研究生提供奖学金
- 批准号:
1259941 - 财政年份:2013
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
MRI: Acquisition of Large Shared Memory Supercomputer at Duquesne University
MRI:杜肯大学购买大型共享内存超级计算机
- 批准号:
1126465 - 财政年份:2011
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
Integrated Computational and Experimental REU/DoD Site
综合计算和实验 REU/DoD 站点
- 批准号:
1005145 - 财政年份:2010
- 资助金额:
$ 39万 - 项目类别:
Continuing Grant
Research Experiences for Undergraduates: Integrated Computational and Experimental REU Site at Duquesne University
本科生研究经验:杜肯大学综合计算和实验 REU 站点
- 批准号:
0649182 - 财政年份:2007
- 资助金额:
$ 39万 - 项目类别:
Continuing Grant
MRI: Acquisition of Large Shared-Memory Computing for the Center for Computational Sciences at Duquesne University
MRI:为杜肯大学计算科学中心采购大型共享内存计算
- 批准号:
0723109 - 财政年份:2007
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
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相似海外基金
REU Site: Integration of Chemical Theory, Computation and Experiment at Duquesne University
REU 网站:杜肯大学化学理论、计算和实验的整合
- 批准号:
2244151 - 财政年份:2023
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
REU Site: Research Experience for Undergraduates in Arctic Renewable Energy Development, Economics, and Integration
REU 网站:北极可再生能源开发、经济学和一体化本科生研究经验
- 批准号:
2150389 - 财政年份:2022
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
REU Site: Integration of Biology and Materials in Chemical Engineering
REU 网站:化学工程中生物学和材料的整合
- 批准号:
1950639 - 财政年份:2020
- 资助金额:
$ 39万 - 项目类别:
Standard Grant
REU Site: Integration of Biology and Materials in Chemical Engineering
REU 网站:化学工程中生物学和材料的整合
- 批准号:
1659497 - 财政年份:2017
- 资助金额:
$ 39万 - 项目类别:
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REU Site: Interdisciplinary Integration in Statistical Learning and Data Mining
REU 网站:统计学习和数据挖掘的跨学科整合
- 批准号:
1659288 - 财政年份:2017
- 资助金额:
$ 39万 - 项目类别:
Standard Grant