Marco Hülsmann - Publications, H-index & Citations | 科言猫

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Marco Hülsmann

hochschule bonn rhein sieg

11H指数

36论文数

302被引数

收录论文 6

发表时间

Fine-tuning property domain weighting factors and the objective function in force-field parameter optimization 微调属性领域权重因子和力场参数优化中的目标函数

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

IF3

2025-06-10

0

PREAI

Strickstrock, Robin; Hagg, Alexander; Huelsmann, Marco; Kirschner, Karl N.; Reith, Dirk

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Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-03-21

3

PREAI

Muller, Max; Hagg, Alexander; Strickstrock, Robin; Hulsmann, Marco; Asteroth, Alexander; Kirschner, Karl N.; Reith, Dirk

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Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data 通过耦合单分子和集合目标数据优化lennard-jones参数

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2022-05-01

1

PREAI

Strickstrock, Robin; Huelsmann, Marco; Reith, Dirk; Kirschner, Karl N.

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Automated parameterization of intermolecular pair potentials using global optimization techniques

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2014-12-01

15

OAAI

Kraemer, Andreas; Huelsmann, Marco; Koeddermann, Thorsten; Reith, Dirk

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Assessment of numerical optimization algorithms for the development of molecular models

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2010-05-01

24

PREAI

Huelsmann, Marco; Vrabec, Jadran; Maass, Astrid; Reith, Dirk

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GROW: A gradient-based optimization workflow for the automated development of molecular models

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2010-03-01

40

PREAI

Huelsmann, Marco; Koeddermann, Thorsten; Vrabec, Jadran; Reith, Dirk

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