Theory of Chemical Dynamics
化学动力学理论
基本信息
- 批准号:0809073
- 负责人:
- 金额:$ 44.88万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2008
- 资助国家:美国
- 起止时间:2008-08-01 至 2012-07-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
William Miller of the University of California, Berkeley, is supported by the Theoretical and Computational Chemistry Program to develop the theoretical concepts and computational methodologies that aim to provide a quantitative description of many kinds of dynamical phenomena in molecular systems, focusing on chemical reactions. More accurate versions of the semiclassical initial value representation (SC-IVR) methodology, such as the forward-backward approach (FB-IVR), will be developed into a method that is able to describe many types of quantum phenomena, such as coherence, tunneling, and zero-point energy effects. The capabilities of the new developments will be tested on a variety of applications, including molecular spectroscopy and dynamics on a femtosecond time scale.This research continues to explore the development of a potentially universal treatment of chemical dynamics, including the quantum mechanical effects that are important for very small particles. This approach may improve the predictive capabilities for chemical processes that occur in solids and solutions, with resulting impacts in chemistry, biology, physics, and nanoscience.
加州大学伯克利分校的威廉·米勒在理论和计算化学计划的支持下,开发了理论概念和计算方法,旨在为分子系统中的多种动力学现象提供定量描述,重点是化学反应。半经典初值表示(SC-IVR)方法的更精确版本,如向前-向后方法(FB-IVR),将发展成为一种能够描述许多类型的量子现象的方法,如相干、隧道和零点能量效应。新开发的能力将在各种应用中进行测试,包括飞秒时间尺度上的分子光谱学和动力学。这项研究继续探索开发一种潜在的普遍治疗化学动力学的方法,包括对非常小的粒子很重要的量子力学效应。这种方法可以提高对固体和溶液中发生的化学过程的预测能力,从而对化学、生物学、物理学和纳米科学产生影响。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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William Miller其他文献
JM-JABF200198 32..44
JM-JABF200198 32..44
- DOI:
- 发表时间:
2021 - 期刊:
- 影响因子:0
- 作者:
L. Solberg;A. Kuzel;M. Parchman;D. Shelley;W. Dickinson;Theresa L. Walunas;A. Nguyen;L. Fagnan;S. Cykert;D. Cohen;Bijal A. Balasubramanaian;Douglas H. Fernald;Leah Gordon;A. Kho;A. Krist;William Miller;C. Berry;Daniel F. Duffy;Zsolt J. Nagykaldi - 通讯作者:
Zsolt J. Nagykaldi
Creation and characterization of novel rat model for recessive dystrophic epidermolysis bullosa: Frameshift mutation of the Col7a1 gene leads to severe blistered phenotype
隐性营养不良性大疱性表皮松解症新型大鼠模型的创建和表征:Col7a1 基因的移码突变导致严重的水疱表型
- DOI:
- 发表时间:
2024 - 期刊:
- 影响因子:3.7
- 作者:
W. Stone;Chloe L Strege;William Miller;Aron M. Geurts;Michael N. Grzybowski;M. Riddle;Christopher Lees;C. Eide;Douglas R. Keene;S. Tufa;Davis Seelig;J. McGrath;Jakub Tolar - 通讯作者:
Jakub Tolar
Explainable AI and Counterfactuals for Test and Evaluation of Intelligent Engineered Systems
用于测试和评估智能工程系统的可解释人工智能和反事实
- DOI:
10.1002/iis2.13096 - 发表时间:
2023 - 期刊:
- 影响因子:0
- 作者:
Ali K. Raz;William Miller;Kuo;Yan Lin;Erik Blasch - 通讯作者:
Erik Blasch
Modulation of the two promoters of the galactose operon of Escherichia coli
大肠杆菌半乳糖操纵子两个启动子的调控
- DOI:
10.1038/279492a0 - 发表时间:
1979-06-01 - 期刊:
- 影响因子:48.500
- 作者:
Sankar Adhya;William Miller - 通讯作者:
William Miller
MR findings on primitive neuroectodermal tumors.
原始神经外胚层肿瘤的 MR 结果。
- DOI:
- 发表时间:
1989 - 期刊:
- 影响因子:1.3
- 作者:
Ramon Figueroa;T. E. Gammal;B. S. Brooks;Richard C. Holgate;William Miller - 通讯作者:
William Miller
William Miller的其他文献
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{{ truncateString('William Miller', 18)}}的其他基金
Conference: Concepts for Advancing Sustainable Urban Systems (SUS) Research Networks: SUSPIRE: Sustainable Urban Systems: Predictive, Interconnected, Resilient and Evolving
会议:推进可持续城市系统 (SUS) 的概念 研究网络:SUSPIRE:可持续城市系统:预测性、互联性、弹性和不断发展
- 批准号:
1929942 - 财政年份:2019
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
Superoxide Dynamics in Irradiated Seawater
辐照海水中的超氧化物动力学
- 批准号:
1924763 - 财政年份:2019
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
Theory and Application of Some New Approaches to Electronically Non-Adiabatic Dynamic
电子非绝热动力学一些新方法的理论与应用
- 批准号:
1856707 - 财政年份:2019
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
REU Site: 3D Herbivory and Biodiversity of Tardigrades in North American Forest Canopies: Inspiring Students with Physical Disabilities to Pursue Field Biology
REU 网站:北美森林树冠中缓步动物的 3D 食草和生物多样性:激励身体残疾的学生追求野外生物学
- 批准号:
1461005 - 财政年份:2015
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
Two-compartment microfluidic bioreactor with functionalized PEG hydrogels to promote platelet production in culture
具有功能化 PEG 水凝胶的两室微流体生物反应器可促进培养中血小板的产生
- 批准号:
1265029 - 财政年份:2013
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
REU Site: 3D Invertebrate Herbivory and Biodiversity in Deciduous North American Forest Canopies: Inspiring Students with Physical Disabilities to Pursue Field Biology
REU 网站:北美落叶森林冠层的 3D 无脊椎动物草食性和生物多样性:激励身体残疾的学生追求野外生物学
- 批准号:
1156550 - 财政年份:2012
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
FSML: Improving Research and Education Infrastructure at the University of Georgia Marine Institute on Sapelo Island, GA
FSML:改善佐治亚州萨佩洛岛佐治亚大学海洋研究所的研究和教育基础设施
- 批准号:
1034800 - 财政年份:2010
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
Towards Large-Scale Platelet Production from Adult Hematopoietic Stem and Progenitor Cells
利用成体造血干细胞和祖细胞大规模生产血小板
- 批准号:
0853603 - 财政年份:2009
- 资助金额:
$ 44.88万 - 项目类别:
Standard Grant
相似国自然基金
Chinese Journal of Chemical Engineering
- 批准号:21224004
- 批准年份:2012
- 资助金额:20.0 万元
- 项目类别:专项基金项目
Chinese Journal of Chemical Engineering
- 批准号:21024805
- 批准年份:2010
- 资助金额:20.0 万元
- 项目类别:专项基金项目
相似海外基金
Theory of Single-molecule Chemical Dynamics
单分子化学动力学理论
- 批准号:
1955552 - 财政年份:2020
- 资助金额:
$ 44.88万 - 项目类别:
Continuing Grant
A fully quantum theory of ultrafast chemical dynamics.
超快化学动力学的完全量子理论。
- 批准号:
EP/N007549/1 - 财政年份:2015
- 资助金额:
$ 44.88万 - 项目类别:
Research Grant
Theory and simulation of quantum dynamics and ultrafast spectroscopy of chemical and biological systems in nanoconfined environments
纳米环境中化学和生物系统的量子动力学和超快光谱理论与模拟
- 批准号:
386615-2010 - 财政年份:2014
- 资助金额:
$ 44.88万 - 项目类别:
Discovery Grants Program - Individual
Theory and simulation of quantum dynamics and ultrafast spectroscopy of chemical and biological systems in nanoconfined environments
纳米环境中化学和生物系统的量子动力学和超快光谱理论与模拟
- 批准号:
386615-2010 - 财政年份:2013
- 资助金额:
$ 44.88万 - 项目类别:
Discovery Grants Program - Individual
Theory and simulation of quantum dynamics and ultrafast spectroscopy of chemical and biological systems in nanoconfined environments
纳米环境中化学和生物系统的量子动力学和超快光谱理论与模拟
- 批准号:
386615-2010 - 财政年份:2012
- 资助金额:
$ 44.88万 - 项目类别:
Discovery Grants Program - Individual
Theory and simulation of quantum dynamics and ultrafast spectroscopy of chemical and biological systems in nanoconfined environments
纳米环境中化学和生物系统的量子动力学和超快光谱理论与模拟
- 批准号:
386615-2010 - 财政年份:2011
- 资助金额:
$ 44.88万 - 项目类别:
Discovery Grants Program - Individual
Theory and simulation of quantum dynamics and ultrafast spectroscopy of chemical and biological systems in nanoconfined environments
纳米环境中化学和生物系统的量子动力学和超快光谱理论与模拟
- 批准号:
386615-2010 - 财政年份:2010
- 资助金额:
$ 44.88万 - 项目类别:
Discovery Grants Program - Individual
Development of the chemical reaction theory and its application to the enzymaticreaction by the ONIOM molecular dynamics method
化学反应理论的发展及其在ONIOM分子动力学方法酶促反应中的应用
- 批准号:
21550017 - 财政年份:2009
- 资助金额:
$ 44.88万 - 项目类别:
Grant-in-Aid for Scientific Research (C)