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Bias-free estimation of signals on top of unknown backgrounds

Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment, 2024-06, Vol.1063, Article 169259

2024

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Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap?

Current opinion in solid state & materials science, 2024-06, Vol.30, Article 101158

Rotskoff, Grant M.

2024

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Aqueous Conductive Polymer Composites with Good Printability and Conductivity for Flexible Electronics

Journal of electronic materials, 2024-06, Vol.53 (6), p.3143-3153

2024

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Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-05, Vol.128 (21), p.4378-4390

2024

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TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

Journal of chemical theory and computation, 2024-05, Vol.20 (10), p.4076-4087

2024

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Automated Transition Metal Catalysts Discovery and Optimisation with AI and Machine Learning

ChemCatChem, 2024-05, Vol.16 (10), p.n/a

2024

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In‐situ Oxidation and Coupling of Anilines towards Unsymmetric Azobenzenes Using Flow Chemistry

ChemSusChem, 2024-05, Vol.17 (10), p.e202301714-n/a

2024

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Fast Seismic Anomalies Under Continents Explained by the Delaminated Lower Continental Crust—Implications From High Pressure‐Temperature Elasticity of Jadeite

Geophysical research letters, 2024-05, Vol.51 (9), p.n/a

2024

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Electrochemical Azo‐free Mitsunobu‐type Reaction

Angewandte Chemie International Edition, 2024-05, Vol.63 (20), p.e202402878-n/a

International ed. in English, 2024

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Mechanochemical Birch Reduction with Low Reactive Alkaline Earth Metals

Angewandte Chemie International Edition, 2024-05, Vol.63 (20), p.e202319449-n/a

International ed. in English, 2024

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Revisiting Stereoselective Propene Polymerization Mechanisms: Insights through the Activation Strain Model

Chemistry, an Asian journal, 2024-05, Vol.19 (9), p.e202400155-n/a

2024

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Determination of the drag, lift and added mass coefficients of special unexploded ordnance (UXO) as a function of the Reynolds number and the burial depth

Applied ocean research, 2024-05, Vol.146, Article 103946

2024

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Optimizing Optical Coastal Remote-Sensing Products: Recommendations for Regional Algorithm Calibration

Remote sensing (Basel, Switzerland), 2024-05, Vol.16 (9), p.1497

2024

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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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Chloride and Hydride Transfer as Keys to Catalytic Upcycling of Polyethylene into Liquid Alkanes

Angewandte Chemie (International ed.), 2024-04, Vol.63 (17), p.e202319580-n/a

International ed. in English, 2024

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Influence of prescribed fire intensity and grass mulch on soil erosion and runoff under rainfed maize in Nigeria

Catena (Giessen), 2024-04, Vol.238, Article 107905

2024

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Many-body interactions and deep neural network potentials for water

The Journal of chemical physics, 2024-04, Vol.160 (14)

2024

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An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes

Chemphyschem, 2024-04, Vol.25 (7), p.e202300737-n/a

2024

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Metabolic effects of SGLT2i and metformin on 3-hydroxybutyric acid and lactate in db/db mice

International journal of biological macromolecules, 2024-04, Vol.265 (Pt 1), p.130962-130962, Article 130962

2024

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Thank You to Our 2023 Reviewers

Journal of geophysical research. Solid earth, 2024-04, Vol.129 (4), p.n/a

2024

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Allergenicity of tropomyosin variants identified in the edible insect Hermetia illucens (black soldier fly)

Food chemistry, 2024-03, Vol.437, p.137849, Article 137849

2024

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Ultrastrong Electron‐Phonon Coupling in Uranium‐Organic Frameworks Leading to Inverse Luminescence Temperature Dependence

Angewandte Chemie (International ed.), 2024-03, Vol.63 (11), p.e202318559-n/a

International ed. in English, 2024

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A density functional tight-binding based strategy for modeling ion bombardment and its application to Ar bombardment of silicon nitride

Journal of applied physics, 2024-03, Vol.135 (9)

2024

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SYZ mirror symmetry for del Pezzo surfaces and affine structures

Advances in mathematics (New York. 1965), 2024-03, Vol.439, p.109488, Article 109488

2024

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Bias-free estimation of signals on top of unknown backgrounds

Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap?

Aqueous Conductive Polymer Composites with Good Printability and Conductivity for Flexible Electronics

Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

Automated Transition Metal Catalysts Discovery and Optimisation with AI and Machine Learning

In‐situ Oxidation and Coupling of Anilines towards Unsymmetric Azobenzenes Using Flow Chemistry

Fast Seismic Anomalies Under Continents Explained by the Delaminated Lower Continental Crust—Implications From High Pressure‐Temperature Elasticity of Jadeite

Electrochemical Azo‐free Mitsunobu‐type Reaction

Mechanochemical Birch Reduction with Low Reactive Alkaline Earth Metals

JARVIS-Leaderboard: a large scale benchmark of materials design methods

Revisiting Stereoselective Propene Polymerization Mechanisms: Insights through the Activation Strain Model

Determination of the drag, lift and added mass coefficients of special unexploded ordnance (UXO) as a function of the Reynolds number and the burial depth

Optimizing Optical Coastal Remote-Sensing Products: Recommendations for Regional Algorithm Calibration

Modeling Zinc Complexes Using Neural Networks

Chloride and Hydride Transfer as Keys to Catalytic Upcycling of Polyethylene into Liquid Alkanes

Influence of prescribed fire intensity and grass mulch on soil erosion and runoff under rainfed maize in Nigeria

Many-body interactions and deep neural network potentials for water

An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes

Metabolic effects of SGLT2i and metformin on 3-hydroxybutyric acid and lactate in db/db mice

Thank You to Our 2023 Reviewers

Allergenicity of tropomyosin variants identified in the edible insect Hermetia illucens (black soldier fly)

Ultrastrong Electron‐Phonon Coupling in Uranium‐Organic Frameworks Leading to Inverse Luminescence Temperature Dependence

A density functional tight-binding based strategy for modeling ion bombardment and its application to Ar bombardment of silicon nitride

SYZ mirror symmetry for del Pezzo surfaces and affine structures

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