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Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks

Molecular Dynamics Simulations of Complex Systems Using High-Dimensional Neural Networks
使用高维神经网络对复杂系统进行分子动力学模拟
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

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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in other funding programmes, both the abstracts of applications and final reports are not required and will therefore not be published in GEPRIS.
期刊论文(9)
专著(0)
科研奖励(0)
会议论文
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
6
    Development of a generally applicable machine learning potential with accurate long-range electrostatic interactions
    • 批准号:
      411538199
    • 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
    • 批准号:
      405479457
    • 项目类别:
      Research Grants
    • 资助金额:
      $0.0万
    • 财政年份:
      2018
    • 负责人:
      Professor Dr. Jörg Behler
    • 依托单位:
    Theoretical Investigation of the Structural Properties of Copper Clusters at Zinc Oxide
    • 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:
    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
    • 批准号:
    • 项目类别:
      省市级项目
    • 资助金额:
      --
    • 批准年份:
      2023
    • 负责人:
    • 依托单位: