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#p_rinke

LSR+25

An Interpretable Molecular Descriptor for Machine Learning Predictions in Atmospheric Science

Preprint (Oct. 2025)

#p_rinke

PKR25a

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

PSI-K 2025

#p_rinke

BKB+25

MACE4IR: A Foundation Model for Molecular Infrared Spectroscopy

Preprint (Aug. 2025)

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BBR+25

Traffic-Emitted Amines Promote New Particle Formation at Roadsides

ACS ES&T Air 2.8. Jul. 2025

#p_rinke

VNS+25

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

Physical Chemistry Chemical Physics Advance Article. Jun. 2025

#p_rinke

PKR25

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

npj Computational Materials 11.213. Jun. 2025

#p_rinke

BRK25

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

Preprint (Jun. 2025)

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BCR+25

Exploring Noncollinear Magnetic Energy Landscapes With Bayesian Optimization

Digital Discovery 4.6. May. 2025

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HLR25a

Efficient Dataset Generation for Machine Learning Halide Perovskite Alloys

Physical Review Materials 9.053802. May. 2025

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HLR25

Design Rules for Optimizing Quaternary Mixed-Metal Chalcohalides

Preprint (May. 2025)

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BSP+25

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

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GTV+25

Active Learning of Molecular Data for Task-Specific Objectives

The Journal of Chemical Physics 162.014103. Jan. 2025

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0001-01-01 - Last modified: 0001-01-01