Home | Tags | #p-rinke

#p-rinke

TheMeCat: Dataset of Thermocatalytic Conversion of CO2 to Methanol

Scientific Data 13.165. Jan. 2026

#p-rinke

Predicting the Thermal Behavior of Semiconductor Defects With Equivariant Neural Networks

Preprint (Nov. 2025)

#p-egger #p-rinke

Leveraging Active Learning-Enhanced Machine-Learned Interatomic Potential for Efficient Infrared Spectra Prediction

npj Computational Materials 11.324. Oct. 2025

#p-rinke

An Interpretable Molecular Descriptor for Machine Learning Predictions in Atmospheric Science

Preprint (Oct. 2025)

#p-rinke

Exoloring the Role of Oxygenated Organic Molecules in New Particle Formation Events With Explainable Artificial Intelligence

EAC 2025

#p-rinke

Towards Atmospheric Identification in Chemical Ionization Mass Spectrometry With Machine Learning

EAC 2025

#p-rinke

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO2 to Methanol Conversion

PSI-K 2025

#p-rinke

MACE4IR: A Foundation Model for Molecular Infrared Spectroscopy

Preprint (Aug. 2025)

#p-rinke

Traffic-Emitted Amines Promote New Particle Formation at Roadsides

ACS ES&T Air 2.8. Jul. 2025

#p-rinke

Predicting Intersystem Crossing Rate Constants of Alkoxy-Radical Pairs With Structure-Based Descriptors and Machine Learning

Physical Chemistry Chemical Physics 27.28. Jun. 2025

#p-rinke

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO2 to Methanol Conversion

npj Computational Materials 11.213. Jun. 2025

#p-rinke

Exploring Noncollinear Magnetic Energy Landscapes With Bayesian Optimization

Digital Discovery 4.6. May. 2025

#p-rinke

Similarity-Based Analysis of Atmospheric Organic Compounds for Machine Learning Applications

Geoscientific Model Development 18.9. May. 2025

#p-rinke

Data-Efficient Optimization of Thermally-Activated Polymer Actuators Through Machine Learning

Materials and Design 253.113908. May. 2025

#p-rinke

Efficient Dataset Generation for Machine Learning Halide Perovskite Alloys

Physical Review Materials 9.053802. May. 2025

#p-rinke

Design Rules for Optimizing Quaternary Mixed-Metal Chalcohalides

Preprint (May. 2025)

#p-rinke

Technical Note: Towards Atmospheric Compound Identification in Chemical Ionization Mass Spectrometry With Pesticide Standards and Machine Learning

Atmospheric Chemistry and Physics 25.1. Jan. 2025

#p-rinke

Active Learning of Molecular Data for Task-Specific Objectives

The Journal of Chemical Physics 162.014103. Jan. 2025

#p-rinke