MRI: Acquisition of a High Performance Computing System for Science and Engineering Research and Education at the University of Houston

MRI:为休斯顿大学的科学工程研究和教育购置高性能计算系统

基本信息

  • 批准号:
    1531814
  • 负责人:
  • 金额:
    $ 95万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2015
  • 资助国家:
    美国
  • 起止时间:
    2015-08-15 至 2019-07-31
  • 项目状态:
    已结题

项目摘要

This Major Research Instrument (MRI) project provides for the acquisition of a high-performance computing (HPC) instrument to support research from the University of Houston (UH) system as well as other minority-serving institutions in the Houston region. It enables cross-disciplinary research efforts in: multiscale biomolecular simulations; atomistic molecular dynamics simulations; computational chemistry for alternative energy; simulations of gas-phase, condensed-phase and nanostructured materials; and large-program restructuring for multicore and graphics processing unit (GPU) based systems. This facility also develops simulations of early universe cosmology; simulations of stochastic networks; quantum chromodynamics lattice simulations for particle physics; space radiation analysis and simulations; seismic characterization of wave functions; evolutionary simulations; computational analysis of genomic data; and cloud computing and image processing. The instrument significantly increases resources available to researchers in science, technology, engineering, and mathematics (STEM) disciplines at the participating organizations. On-campus access to a heterogeneous computing platform fosters collaboration between computational scientists and programming experts to advance the use of graphics processing units (GPUs) for scientific computing. Training materials and strategies are developed to support code development and fully exploit the performance benefits. A new generation of open-source, directive-based GPU-enabled application codes are created that demonstrate scalability and portability. This project greatly enriches the university research infrastructure and increases the use of new HPC techniques and systems at the University of Houston, a Hispanic Serving Institution, and collaborating institutions. UH partners with two Historically Black Colleges (HBCUs) to broaden the participation of students from underrepresented groups in STEM disciplines. The impact is particularly pronounced for undergraduate research. Students and researchers are exposed to a vibrant and multi-disciplinary research environment and receive valuable, advanced training in HPC - skills that are readily transferrable between scientific domains. Aspects of algorithms, computer codes, and data sets developed under this award are made publicly available.
该主要研究仪器(MRI)项目旨在采购高性能计算(HPC)仪器,以支持休斯顿大学(UH)系统以及休斯顿地区其他少数族裔服务机构的研究。它使跨学科的研究工作:多尺度生物分子模拟;原子分子动力学模拟;替代能源的计算化学;气相,凝聚相和纳米结构材料的模拟;以及基于多核和图形处理单元(GPU)的系统的大型程序重组。该设施还开发早期宇宙学的模拟;随机网络的模拟;粒子物理学的量子色动力学晶格模拟;空间辐射分析和模拟;波函数的地震表征;进化模拟;基因组数据的计算分析;云计算和图像处理。 该工具大大增加了参与组织科学、技术、工程和数学学科研究人员可用的资源。校园内访问异构计算平台促进了计算科学家和编程专家之间的合作,以促进图形处理单元(GPU)在科学计算中的使用。开发培训材料和战略以支持代码开发并充分利用性能优势。新一代的开源、基于指令的GPU应用程序代码被创建,展示了可扩展性和可移植性。该项目极大地丰富了大学的研究基础设施,并增加了新的HPC技术和系统在休斯顿大学,西班牙裔服务机构和合作机构的使用。UH与两个历史上的黑人学院(HBCUs)合作,以扩大来自STEM学科代表性不足群体的学生的参与。这种影响在本科生研究中尤为明显。学生和研究人员接触到一个充满活力和多学科的研究环境,并接受有价值的,先进的培训HPC -技能,很容易在科学领域之间转移。根据该奖项开发的算法,计算机代码和数据集的各个方面都是公开的。

项目成果

期刊论文数量(5)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Excitonic coupling dominates the homogeneous photoluminescence excitation linewidth in semicrystalline polymeric semiconductors
  • DOI:
    10.1103/physrevb.95.180201
  • 发表时间:
    2017-05-11
  • 期刊:
  • 影响因子:
    3.7
  • 作者:
    Gregoire, Pascal;Vella, Eleonora;Silva, Carlos
  • 通讯作者:
    Silva, Carlos
Quantum Simulations of Charge Separation at a Model Donor-Acceptor Interface: Role of Delocalization and Local Packing
  • DOI:
    10.1155/2018/6834908
  • 发表时间:
    2016-12
  • 期刊:
  • 影响因子:
    1.5
  • 作者:
    Allen Kelley;E. Bittner
  • 通讯作者:
    Allen Kelley;E. Bittner
Photon entanglement entropy as a probe of many-body corelations and fluctuations
光子纠缠熵作为多体相关性和波动的探针
  • DOI:
  • 发表时间:
    2019
  • 期刊:
  • 影响因子:
    4.4
  • 作者:
    Li, Hao Piryatinski
  • 通讯作者:
    Li, Hao Piryatinski
Inelastic Charge Transfer Dynamics in Donor-Bridge-Acceptor Systems Using Optimal Modes
使用最佳模式的供体-桥-受体系统中的非弹性电荷转移动力学
  • DOI:
    10.1002/9781119374978.ch6
  • 发表时间:
    2016
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Xummo Yang;E. Bittner
  • 通讯作者:
    E. Bittner
Probing dynamical symmetry breaking using quantum-entangled photons
使用量子纠缠光子探测动态对称性破缺
  • DOI:
  • 发表时间:
    2017
  • 期刊:
  • 影响因子:
    6.7
  • 作者:
    Li, H.;Piryatinski, A.;Jonathan, J.;Kandada, A.;Silva, C.;Bittner, E.
  • 通讯作者:
    Bittner, E.
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Margaret Cheung其他文献

63 - The Impact of an Interdisciplinary, Case-Managed Diabetes Team on Diabetes Self-Management, Diabetes-Related Hospitalizations and Emergency Department Visits
  • DOI:
    10.1016/j.jcjd.2017.08.071
  • 发表时间:
    2017-10-01
  • 期刊:
  • 影响因子:
  • 作者:
    Kristen Imfeld;Justine Chan;Margaret Cheung;Stacey Horodezny
  • 通讯作者:
    Stacey Horodezny
Molecular Modeling of the ATP-Synthase Motor F0 Subunit of Escherichia Coli and Proton Translocation
  • DOI:
    10.1016/j.bpj.2010.12.3169
  • 发表时间:
    2011-02-02
  • 期刊:
  • 影响因子:
  • 作者:
    Megan Scoppa;Margaret Cheung
  • 通讯作者:
    Margaret Cheung
Charged Side Chain Mutations of CaMKII Peptide Alter Binding Affinity for CaM through Creation of Non-local Alternate Binding Contacts
  • DOI:
    10.1016/j.bpj.2017.11.3220
  • 发表时间:
    2018-02-02
  • 期刊:
  • 影响因子:
  • 作者:
    Jacob Ezerski;Pengzhi Zhang;Margaret Cheung
  • 通讯作者:
    Margaret Cheung
Multi-Scale Simulations of Proteins in Different Solvent Conditions
  • DOI:
    10.1016/j.bpj.2010.12.3536
  • 发表时间:
    2011-02-02
  • 期刊:
  • 影响因子:
  • 作者:
    Dirar Homouz;Antonios Samiotakis;Margaret Cheung
  • 通讯作者:
    Margaret Cheung
Size and Shape of Crowders Affect the Folding Landscape of Cytochrome C
  • DOI:
    10.1016/j.bpj.2010.12.1357
  • 发表时间:
    2011-02-02
  • 期刊:
  • 影响因子:
  • 作者:
    Qian Wang;Antonios Samiotakis;Margaret Cheung
  • 通讯作者:
    Margaret Cheung

Margaret Cheung的其他文献

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{{ truncateString('Margaret Cheung', 18)}}的其他基金

Emergent Protein Assemblies in Cytoplasm
细胞质中的新兴蛋白质组装
  • 批准号:
    2221824
  • 财政年份:
    2022
  • 资助金额:
    $ 95万
  • 项目类别:
    Standard Grant
2018 Protein Folding Dynamics: Order, Disorder, and Aggregation GRC in Galveston, TX
2018 年蛋白质折叠动力学:有序、无序和聚集 GRC,德克萨斯州加尔维斯顿
  • 批准号:
    1743232
  • 财政年份:
    2017
  • 资助金额:
    $ 95万
  • 项目类别:
    Standard Grant
Effects of Cellular Environment on Protein Structure and Folding Dynamics
细胞环境对蛋白质结构和折叠动力学的影响
  • 批准号:
    1412532
  • 财政年份:
    2014
  • 资助金额:
    $ 95万
  • 项目类别:
    Continuing Grant
Biophysical Society Subgroup Symposium in San Diego, CA February 25, 2012.
生物物理学会小组研讨会,加利福尼亚州圣地亚哥,2012 年 2 月 25 日。
  • 批准号:
    1148598
  • 财政年份:
    2011
  • 资助金额:
    $ 95万
  • 项目类别:
    Standard Grant
Biophysics Society Subgroup Symposium to be held during the Biophysical Society Annual Meeting on March 5, 2011 in Baltimore, MD
生物物理学会分组研讨会将于 2011 年 3 月 5 日在马里兰州巴尔的摩举行的生物物理学会年会期间举行
  • 批准号:
    1101860
  • 财政年份:
    2011
  • 资助金额:
    $ 95万
  • 项目类别:
    Standard Grant
Effects of macromolecular crowding on protein structure, folding, and interactions
大分子拥挤对蛋白质结构、折叠和相互作用的影响
  • 批准号:
    0919974
  • 财政年份:
    2009
  • 资助金额:
    $ 95万
  • 项目类别:
    Standard Grant

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