Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks
Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks
批准号:
329898176
负责人:
Professor Dr. Jörg Behler
金额:
$0.0万
依托单位国家:
德国
项目类别:
Heisenberg Professorships
财政年份:
2016
资助国家:
德国
项目状态:
已结题
起止时间:
2015-12-31 至 2019-12-31
中文摘要
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英文摘要
The precondition for a Heisenberg Programme funding is high scientific quality and originality of the research project at international level and suitability for further qualification as a university teacher. Applicants need to meet all the requirements for appointment to a permanent professorship.The aim of this programme is to enable outstanding scientists to prepare for a scientific leadership function, and simultaneously work on further research topics. This research does not necessarily need to be planned and carried out in the form of a project.For this reason, and unlike the procedure in other funding programmes, both the abstracts of applications and final reports are not required and will therefore not be published in GEPRIS.
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Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation Shell.
Na溶剂化壳中质子转移驱动的水交换机制
DOI:
10.1021/acs.jpcb.7b01490
发表时间:
2017
期刊:
The journal of physical chemistry. B
影响因子:
--
作者:
[M. Hellström, J. Behler]
通讯作者:
J. Behler
DOI:
10.1021/acs.jpclett.7b00358
发表时间:
2017-03
期刊:
The journal of physical chemistry letters
影响因子:
--
作者:
[V. Quaranta;M. Hellström;J. Behler]
通讯作者:
V. Quaranta;M. Hellström;J. Behler
Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations.
神经网络分子动力学模拟氢氧化钠溶液中的核量子效应
DOI:
10.1021/acs.jpcb.8b06433
发表时间:
2018
期刊:
The journal of physical chemistry. B
影响因子:
--
作者:
[M. Hellström, M. Ceriotti, J. Behler]
通讯作者:
J. Behler
DOI:
10.1073/pnas.1815117116
发表时间:
2019-01-22
期刊:
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
影响因子:
11.1
作者:
[Cheng, Bingqing, Engel, Edgar A., Ceriotti, Michele]
通讯作者:
Ceriotti, Michele
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential.
从高维神经网络势最大解析水/ZnO(101×0)界面的非简谐OH振动谱
DOI:
10.1063/1.5012980
发表时间:
2018
期刊:
The Journal of chemical physics
影响因子:
--
作者:
[V. Quaranta, M. Hellström, J. Behler, J. Kullgren, P. Mitev, K. Hermansson]
通讯作者:
K. Hermansson
共 6 条
Development of a generally applicable machine learning potential with accurate long-range electrostatic interactions
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批准号:411538199
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项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2019
-
负责人:Professor Dr. Jörg Behler
-
依托单位:
Development of a Neural Network Potential for Metal-Organic Frameworks
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批准号:405479457
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2018
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负责人:Professor Dr. Jörg Behler
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依托单位:
Theoretical Investigation of the Structural Properties of Copper Clusters at Zinc Oxide
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批准号:289217282
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2015
-
负责人:Professor Dr. Jörg Behler
-
依托单位:
Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Network Potentials
-
批准号:251138345
-
项目类别:Heisenberg Fellowships
-
资助金额:$0.0万
-
财政年份:2014
-
负责人:Professor Dr. Jörg Behler
-
依托单位:
Molecular Dynamics Studies of the Water-Copper Interface Using Neural Network Potentials
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批准号:225657524
-
项目类别:Research Grants
-
资助金额:$0.0万
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财政年份:2012
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负责人:Professor Dr. Jörg Behler
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依托单位:
Enantioselective Processes at Surfaces Studied by High-Dimensional Neural Network Potentials
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批准号:76899711
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项目类别:Independent Junior Research Groups
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资助金额:$0.0万
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财政年份:2008
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负责人:Professor Dr. Jörg Behler
-
依托单位:
Ab initio Metadynamik-Untersuchung von Phasendiagrammen kristalliner Festkörper unter extremen Bedingungen
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批准号:25882953
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项目类别:Research Fellowships
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资助金额:$0.0万
-
财政年份:2006
-
负责人:Professor Dr. Jörg Behler
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依托单位:
Fourth-Generation Neural Network Potentials for Molecular Chemistry
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批准号:495842446
-
项目类别:Priority Programmes
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资助金额:$0.0万
-
财政年份:--
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负责人:Professor Dr. Jörg Behler
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依托单位:
国内基金
海外基金
β-arrestin2- MFN2-Mitochondrial Dynamics轴调控星形胶质细胞功能对抑郁症进程的影响及机制研究
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批准号:
-
项目类别:省市级项目
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资助金额:--
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批准年份:2023
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负责人:
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依托单位: