MRI: Expansion of the Molecular Education and Research Consortium in Undergraduate Computational ChemistRY (MERCURY) via Addition of High Performance Computers

这台高性能计算机(HPC)增加了HPC水星资源，并使另外12个研究小组受益，将联盟扩大到33个不同机构的38名计算化学家和物理学家。该联盟是本科生计算化学(水星)的分子教育和研究联盟。它的目标是增加本科生参与并受益于这种刺激和高产出的环境。所描述的使能研究项目利用计算化学的工具来解决化学和化学物理中的重大问题。预计该工具将增加参与并受益于这种刺激和高生产率环境的本科生人数。这些研究项目利用计算化学的工具来解决化学和化学物理中的重大问题。这一仪器扩展建立在2001年核磁共振赠款的进展和势头的基础上，该赠款允许该财团购买一台高性能计算机，并协助在成员机构正式建立严格的、可访问的研究计划。该仪器支持计算化学的研究，涵盖生物化学、生物、生物无机、生物物理、环境、无机、材料、机器学习、纳米粒子、物理、物理有机、光化学、聚合物和溶剂化效应等领域。该奖项反映了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 high-performance computer (HPC) adds to the HPC MERCURY resources, and enables 12 more research groups to benefit, expanding the consortium to 38 computational chemists and physicists at 33 different institutions. The consortium is the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY). Its objective is to increase the number of undergraduate students participating and benefiting from this stimulating and highly productive environment. The enabled research projects described utilize the tools of computational chemistry to solve significant problems in chemistry and chemical physics. The Instrument is expected to increase the number of undergraduate students participating and benefiting from this stimulating and highly productive environment. The enabled research projects utilize the tools of computational chemistry to solve significant problems in chemistry and chemical physics. This Instrument expansion builds on the progress and momentum of the 2001 MRI grant, which allowed the consortium to purchase a high-performance computer and assisted in formally establishing rigorous, accessible research programs at the member institutions. The instrument enables research in computational chemistry, spanning the fields of biochemistry, biological, bioinorganic, biophysical, environmental, inorganic, materials, machine learning, nanoparticles, physical, physical organic, photochemistry, polymers, and solvation effects.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.