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Machine Learning Meets Quantum Physics

1st ed. 2020., 2020

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An Assessment of Three Different In Situ Oxygen Sensors for Monitoring Silage Production and Storage

Sensors (Basel, Switzerland), 2016-01, Vol.16 (1), p.91

2016

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Novel manufacturing techniques for microstructured reactors in industrial dimensions

Green processing and synthesis, 2013-10, Vol.2 (5), p.451-463

2013

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Assembly of Surface-Mounted Devices on Flexible Substrates by Isotropic Conductive Adhesive and Solder and Lifetime Characterization

Micromachines (Basel), 2022-08, Vol.13 (8), p.1240

2022

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Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3

Energy & environmental science, 2017-12, Vol.10 (12), p.2579-2593

2017

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Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions

Journal of catalysis, 2021-01, Vol.393, p.313-323

2021

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Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Journal of cheminformatics, 2024-04, Vol.16 (1), p.39-39, Article 39

2024

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Operando structure degradation study of PbS quantum dot solar cells

Energy & environmental science, 2021, Vol.14 (6), p.3420-3429

2021

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Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties

Journal of chemical information and modeling, 2023-03, Vol.63 (5), p.1462-1471

2023

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NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics

Journal of chemical information and modeling, 2023-09, Vol.63 (18), p.5701-5708

2023

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Controlling the metal work function through atomic-scale surface engineering

Applied surface science, 2022-07, Vol.589, p.152932, Article 152932

2022

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Determining the topology of virus assembly intermediates using ion mobility spectrometry-mass spectrometry

Rapid communications in mass spectrometry, 2010-10, Vol.24 (20), p.3033-3042

2010

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Monoliths as multiphase reactors: A review

AIChE journal, 2004-11, Vol.50 (11), p.2918-2938

2004

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From high temperature phase formation to transition metal substitution in the Fe/Al9Co2(001) system

Applied surface science, 2022-07, Vol.591, p.153100, Article 153100

2022

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Autonomous Surface and Underwater Vehicles as Effective Ecosystem Monitoring and Research Platforms in the Arctic—The Glider Project

Sensors (Basel, Switzerland), 2021-10, Vol.21 (20), p.6752

2021

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MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning

Journal of cheminformatics, 2021-07, Vol.13 (1), p.56-56, Article 56

2021

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Preparation and in vitro characterization of chitosan nanobubbles as theranostic agents

Colloids and surfaces, B, Biointerfaces, 2015-05, Vol.129, p.39-46

2015

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Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge

Journal of computer-aided molecular design, 2021-08, Vol.35 (8), p.923-931

2021

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Modeling Zinc Complexes Using Neural Networks

Journal of chemical information and modeling, 2024-04, Vol.64 (8), p.3140-3148

2024

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Explainable AI Algorithms for Vibration Data-Based Fault Detection: Use Case-Adadpted Methods and Critical Evaluation

Sensors (Basel, Switzerland), 2022-11, Vol.22 (23), p.9037

2022

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Water structures on Pb(100) and (111) surface studied with the Interface force field

Applied surface science, 2022-07, Vol.589, p.152838, Article 152838

2022

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A Laboratory Evaluation of the New Automated Pollen Sensor Beenose: Pollen Discrimination Using Machine Learning Techniques

Sensors (Basel, Switzerland), 2023-03, Vol.23 (6), p.2964

2023

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Meta-stable initial condition for improving the switching probability in azobenzene derivatives on surface

Applied surface science, 2023-03, Vol.612, p.155747, Article 155747

2023

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From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials

Journal of chemical information and modeling, 2024-02, Vol.64 (4), p.1201-1212

2024

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Clinical translation of nanomedicine with integrated digital medicine and machine learning interventions

Colloids and surfaces, B, Biointerfaces, 2024-09, Vol.241, p.114041, Article 114041

2024

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Machine Learning Meets Quantum Physics

An Assessment of Three Different In Situ Oxygen Sensors for Monitoring Silage Production and Storage

Novel manufacturing techniques for microstructured reactors in industrial dimensions

Assembly of Surface-Mounted Devices on Flexible Substrates by Isotropic Conductive Adhesive and Solder and Lifetime Characterization

Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3

Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions

Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Operando structure degradation study of PbS quantum dot solar cells

Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties

NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics

Controlling the metal work function through atomic-scale surface engineering

Determining the topology of virus assembly intermediates using ion mobility spectrometry-mass spectrometry

Monoliths as multiphase reactors: A review

From high temperature phase formation to transition metal substitution in the Fe/Al9Co2(001) system

Autonomous Surface and Underwater Vehicles as Effective Ecosystem Monitoring and Research Platforms in the Arctic—The Glider Project

MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning

Preparation and in vitro characterization of chitosan nanobubbles as theranostic agents

Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge

Modeling Zinc Complexes Using Neural Networks

Explainable AI Algorithms for Vibration Data-Based Fault Detection: Use Case-Adadpted Methods and Critical Evaluation

Water structures on Pb(100) and (111) surface studied with the Interface force field

A Laboratory Evaluation of the New Automated Pollen Sensor Beenose: Pollen Discrimination Using Machine Learning Techniques

Meta-stable initial condition for improving the switching probability in azobenzene derivatives on surface

From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials

Clinical translation of nanomedicine with integrated digital medicine and machine learning interventions

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