Maximilian Fleck - Publications, H-index & Citations

Maximilian Fleck

Universite PSL

5H指数

26论文数

46被引数

收录论文 9

发表时间

Leveraging Chemical Hidden-Space Representations Effectively in Bayesian Optimization for Experiment Design through Dimension-Aware Hyperpriors 通过维度感知超先验有效利用化学隐空间表示进行实验设计的贝叶斯优化

Journal of Chemical Theory and Computation

IF5.5

2026-05-15

PREAI

Guanming Chen; Maximilian Fleck; Thijs Stuyver

Electro-induced carbamoylation of arenes optimized by a machine learning model 机器学习模型优化的电诱导芳烃氨基甲酰化反应

Comptes Rendus Chimie

IF0.6

2026-01-01

PREAI

Rouffeteau, Virgile; Perrier, Clara; Fleck, Maximilian; Gontard, Geoffrey; Vitale, Maxime R.; Grimaud, Laurence

Generalized DeepONets for Viscosity Prediction Using Learned Entropy Scaling References 基于学习熵缩放的广义DeepONets用于粘度预测参考文献

Digital Discovery

IF5.6

2025-10-23

OAAI

Maximilian Fleck; Marcelle Bruna de Mendonca Spera; Samir Darouich; Timo Klenk; Niels Hansen

Comment on “Advancing material property prediction: using physics-informed machine learning models for viscosity”评论“推进材料属性预测：使用物理信息机器学习模型预测粘度”

Journal of Cheminformatics

IF5.7

2025-08-29

OAAI

Maximilian Fleck; Samir Darouich; Marcelle B. M. Spera; Niels Hansen

Physics-Informed Multifidelity Gaussian Process: Modeling the Effect of Water and Temperature on the Viscosity of a Deep Eutectic Solvent 物理信息多 fidelity 高斯过程：模拟水和温度对深共晶溶剂粘度的影响

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-04-16

PREAI

Fleck, Maximilian; Darouich, Samir; Pleiss, Ju''rgen; Hansen, Niels; Spera, Marcelle B. M.

Gaussian Process-Supported Optimization of the Transferable Anisotropic Mie Potential Force Field for Primary Alkylamines

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2025-03-01

PREAI

Fleck, Maximilian; Katsuta, Rei; Esper, Timm; Hansen, Niels; Gross, Joachim

Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-08-20

PREAI

Fleck, Maximilian; Kopp, Wassja A.; Viswanathan, Narasimhan; Hansen, Niels; Gross, Joachim; Leonhard, Kai

Multifidelity Gaussian Processes for Predicting Shear Viscosity over Wide Ranges of Liquid State Points Based on Molecular Dynamics Simulations

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2024-02-14

PREAI

Fleck, Maximilian; Gross, Joachim; Hansen, Niels

Exploring the Effect of Enhanced Sampling on Protein Stability Prediction

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-03-17

PREAI

Markthaler, Daniel; Fleck, Maximilian; Stankiewicz, Bartosz; Hansen, Niels

研究方向