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Chemical Engineering and Industrial Chemistry

Olympus, enhanced: benchmarking mixed-parameter and multi-objective optimization in chemistry and materials science

Riley Hickman, Priyansh Parakh, Austin Cheng, Qianxiang Ai, Joshua Schrier, Matteo Aldeghi, Alán Aspuru-Guzik

1,364

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4

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Nanoscience

Inverse Design of Complex Nanoparticle Heterostructures via Deep Learning on Heterogeneous Graphs

Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, Benjamin Lengeling, Xiaojing Xia, Daniel Barter, Emory Chan, Samuel Blau

420

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1

Citations

Energy

Optimum Model-Based Design of Diagnostics Experiments (DOE) with Hybrid Pulse Power Characterization (HPPC) for Lithium-Ion Batteries

Jinwook Rhyu, Debbie Zhuang, Martin Bazant, Richard Braatz

319

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Energy

Machine Learning-Driven Optimization of Gas Diffusion Layer Microstructure for PEM Fuel Cells

Rashen Lou Omongos, Diego Galvez-Aranda, Franco Zanotto, Andras Vernes, Alejandro A. Franco

193

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Theoretical and Computational Chemistry

Computer Aided Recipe Design: Optimization of Polydisperse Chemical Mixtures using Molecular Descriptors

Anja Massolle, Jakob Schneider, Jan Meyer, Christoph Loschen

440

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Materials Chemistry

Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE

Chengwei Ju, Yuzhi Xu, Yongrui Luo, Bo Li, Weikang Jiang, Jingyu Zhang, Hanzhi Bai, Zhiqiang Wang, Jiankai Ge, Ruiming Lin, Zehan Mi, Haozhe Zhang, Yifeng Tang, Michael Jones, Xiaotian Li, John Zhang

553

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Agriculture and Food Chemistry

Optimization of Cosolvent Enhanced Lignocellulosic Fractionation for Isolating Switchgrass Lignin with Distinct Structural Features Using Response Surface Methodology

James Godwin, Hojae Yi, Kendhl Seabright, David Harper, Stephen Chmely

291

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Chemical Engineering and Industrial Chemistry

Hybrid model development emulating linear polarization resistance method towards optimizing dosages of corrosion inhibitors

Chamanthi Denisha Jayaweera, Ivaylo Hitsov, David Fernandes del Pozo, Elias De Ketelaere, Tom Depover, Sarah Müller, Thomas Diekow, Arne Verliefde, Ingmar Nopens

115

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Analytical Chemistry

OptiMS: An Accessible Program for Automating Mass Spectrometry Parameter Optimization and Configuration

Peter J. H. Williams, Ian C. Chagunda, J. Scott McIndoe

333

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Analytical Chemistry

Molecular Fingerprints Optimization for Enhanced Predictive Modeling

Viktoriia Turkina, Melanie R.W. Messih, Etienne Kant, Jelle Gringhuis, Annemieke Petrignani, Garry Corthals, Jake W. O'Brien, Saer Samanipour

647

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1

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Refine Search

48 results in Optimization in Keywords: Optimization

Olympus, enhanced: benchmarking mixed-parameter and multi-objective optimization in chemistry and materials science

Inverse Design of Complex Nanoparticle Heterostructures via Deep Learning on Heterogeneous Graphs

Optimum Model-Based Design of Diagnostics Experiments (DOE) with Hybrid Pulse Power Characterization (HPPC) for Lithium-Ion Batteries

Machine Learning-Driven Optimization of Gas Diffusion Layer Microstructure for PEM Fuel Cells

Computer Aided Recipe Design: Optimization of Polydisperse Chemical Mixtures using Molecular Descriptors

Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE

Optimization of Cosolvent Enhanced Lignocellulosic Fractionation for Isolating Switchgrass Lignin with Distinct Structural Features Using Response Surface Methodology

Hybrid model development emulating linear polarization resistance method towards optimizing dosages of corrosion inhibitors

OptiMS: An Accessible Program for Automating Mass Spectrometry Parameter Optimization and Configuration

Molecular Fingerprints Optimization for Enhanced Predictive Modeling

48 results in Keywords: Optimization