Jan Hamaekers

fraunhofer gesellschaft

13H指数

62论文数

1.1K被引数

收录论文 17

发表时间

Materium: An autoregressive approach for material generation Materium：一种用于材料生成的自回归方法

Computational Materials Science

IF3.3

2026-08-22

OAAI

Niklas Dobberstein; Jan Hamaekers

On Multilevel Energy-Based Fragmentation Methods 多级能量基断裂方法

International Journal of Quantum Chemistry

IF2

2026-01-29

OAAI

Barker, James; Griebel, Michael; Hamaekers, Jan

Multi-fidelity learning for atomistic models via trainable data embeddings 多保真度学习用于原子模型的训练数据嵌入

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2025-12-30

PREAI

Oerder, Rick; Schmieden, Gerrit; Hamaekers, Jan

Multitask learning via task embeddings for glass property prediction with improved sample efficiency 基于任务嵌入的多任务学习用于玻璃性质预测，并提高样本效率

Computational Materials Science

IF3.3

2025-12-10

OAAI

Gregor Maier; Jan Hamaekers; Benedikt Ziebarth

Feature-based prediction of properties of cross-linked epoxy polymers by molecular dynamics and machine learning techniques 基于分子动力学和机器学习技术的交联环氧聚合物性质的特征预测

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

IF2.4

2025-09-15

OAAI

Sindu, B. S.; Hamaekers, Jan

ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-11-20

PREAI

Hoelzer, Christian; Oerder, Rick; Grimme, Stefan; Hamaekers, Jan

Llamol: a dynamic multi-conditional generative transformer for de novo molecular design Llamol: 用于从头分子设计的动态多条件生成转换器

JOURNAL OF CHEMINFORMATICS

IF5.7

2024-06-21

OAAI

Dobberstein, Niklas; Maass, Astrid; Hamaekers, Jan

Interatomic-Potential-Free, Data-Driven Molecular Dynamics

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

IF7.3

2023-10-01

OAAI

Bulin, J.; Hamaekers, J.; Ariza, M. P.; Ortiz, M.

Rapid Prescreening of Organic Compounds for Redox Flow Batteries: A Graph Convolutional Network for Predicting Reaction Enthalpies from SMILES 氧化还原液流电池的有机化合物的快速预屏幕: 用于预测SMILES反应焓的图形卷积网络

BATTERIES & SUPERCAPS

IF4.7

2021-06-22

OAAI

Barker, James; Berg, Laura-Sophie; Hamaekers, Jan; Maass, Astrid

Insights into the Folding of Disulfide-Rich μ-Conotoxins

ACS OMEGA

IF4.3

2018-10-01

OAAI

George, Ajay Abisheck Paul; Heimer, Pascal; Maass, Astrid; Hamaekers, Jan; Hofmann-Apitius, Martin; Biswas, Arijit; Imhof, Diana

The octet rule in chemical space: generating virtual molecules 化学空间中的八位组规则: 生成虚拟分子

MOLECULAR DIVERSITY

IF3.8

2017-08-03

OAAI

Israels, Rafel; Maass, Astrid; Hamaekers, Jan

A multilevel approach to the evolutionary generation of polycrystalline structures

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2016-03-01

PREAI

Barker, James; Bollerhey, Gregor; Hamaekers, Jan

A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron-nitride nanotubes

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2009-06-01

PREAI

Griebel, Michael; Hamaekers, Jan; Heber, Frederik

A molecular dynamic study of cementitious calcium silicate hydrate (C-S-H) gels

JOURNAL OF THE AMERICAN CERAMIC SOCIETY

IF3.8

2007-10-19

138

PREAI

Dolado, Jorge S.; Griebel, Michael; Hamaekers, Jan

Molecular dynamics, simulations of boron-nitride nanotubes embedded in amorphous Si-B-N

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2007-05-01

PREAI

Griebel, Michael; Hamaekers, Jan

Molecular dynamics simulations of the elastic moduli of polymer-carbon nanotube composites 聚合物-碳纳米管复合材料弹性模量的分子动力学模拟

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

IF7.3

2004-05-01

346

PREAI

Griebel, M; Hamaekers, J

ConfRank+: Extending Conformer Ranking to Charged Molecules ConfRank+: 将Conformer Ranking扩展到带电分子

Journal of Chemical Information and Modeling

IF5.3

PREAI

Rick Oerder; Christian Hölzer; Jan Hamaekers

研究方向