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Theoretical and Computational Chemistry

Working Paper

Ionic Conduction Through Reaction Products at the Electrolyte/electrode Interface in All-Solid-State Li⁺ Batteries

Chuhong Wang, Koutarou Aoyagi, Muratahan Aykol, Tim Mueller

Version 1 posted 25 September 2020

1,189

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Theoretical and Computational Chemistry

Working Paper

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Aini Palizhati, Muratahan Aykol, Santosh Suram, Jens Strabo Hummelshøj, Joseph H. Montoya

Version 1 posted 29 March 2021

578

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Rational Solid-State Synthesis Routes for Inorganic Materials

Muratahan Aykol, Joseph H. Montoya, Jens Strabo Hummelshøj

Version 2 posted 28 May 2021

2,007

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Inorganic Chemistry

Working Paper

Autonomous Intelligent Agents for Accelerated Materials Discovery

Joseph H. Montoya, Kirsten Winther, Raul A. Flores, Thomas Bligaard, Jens Strabo Hummelshøj, Muratahan Aykol

Version 1 posted 19 February 2020

875

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Catalysis

Working Paper

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Raul Flores, Christopher Paolucci, Kirsten Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens Kehlet Nørskov, Michal Bajdich, Thomas Bligaard

Version 1 posted 06 May 2020

1,177

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Materials Science

Working Paper

Benchmarking the Acceleration of Materials Discovery by Sequential Learning

Brain Rohr, Helge Stein, Dn Guevarra, Yu Wang, Joel Haber, Muratahan Aykol, Santosh Suram, John Gregoire

Version 1 posted 16 December 2019

652

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Materials Science

Working Paper

Nature of the amorphous-amorphous interfaces in solid-state batteries revealed using machine-learned interatomic potentials

Chuhong Wang, Muratahan Aykol, Tim Mueller

Version 2 posted 17 July 2023

666

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1

Citations

Materials Chemistry

Working Paper

Computer-assisted discovery and rational synthesis of ternary oxides

Joseph Montoya, Carolyn Grimley, Muratahan Aykol, Colin Ophus, Hadas Sternlicht, Benjamin H. Savitzky, Andrew M. Minor, Steven Torrisi, Jackson Goedjen, Ching-Chang Chung, Andrew Comstock, Shijing Sun

Version 1 posted 28 April 2023

834

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1

Citations

Inorganic Chemistry

Working Paper

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

Hillary Pan, Alex Ganose, Matthew Horton, Muratahan Aykol, Kristin Persson, Nils Zimmermann, Anubhav Jain

Version 2 posted 05 January 2021

1,824

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Materials Science

Working Paper

Novel inorganic crystal structures predicted using autonomous simulation agents

Xiangyun Lei, Weike Ye, Muratahan Aykol, Joseph Montoya

Version 1 posted 08 February 2022

311

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Refine Search

11 results in Muratahan Aykol in Authors: Muratahan Aykol

Ionic Conduction Through Reaction Products at the Electrolyte/electrode Interface in All-Solid-State Li⁺ Batteries

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Rational Solid-State Synthesis Routes for Inorganic Materials

Autonomous Intelligent Agents for Accelerated Materials Discovery

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Benchmarking the Acceleration of Materials Discovery by Sequential Learning

Nature of the amorphous-amorphous interfaces in solid-state batteries revealed using machine-learned interatomic potentials

Computer-assisted discovery and rational synthesis of ternary oxides

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

Novel inorganic crystal structures predicted using autonomous simulation agents

11 results in Authors: Muratahan Aykol