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Development of an Automated Workflow for Screening the Assembly and Host-Guest Behaviour of Metal-Organic Cages towards Accelerated Discovery

Annabel Basford, Aaron Hero Bernardino, Paula Teeuwen, Benjamin Egleston, Joshua Humphreys, Kim Jelfs, Jonathan Nitschke, Imogen Riddell, Rebecca Greenaway

Version 4 posted 13 December 2024

517

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Materials Chemistry

Working Paper

Active learning of ligands that enhance perovskite nanocrystal luminescence

Min A Kim, Qianxiang Ai, Alexander J. Norquist, Joshua Schrier, Emory M Chan

Version 1 posted 03 May 2024

299

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Nanoscience

Working Paper

Anomalous Diffusive and Electric-field-driven Ion Transport in Boron-Nitride Nanotubes

Semih Cetindag, Aaditya Pendse, Richard J. Castellano, Pavel Rehak, Matthew Howard, Ku Wang, Joshua Yi, Robert F. Praino, Petr Kral, Liping Liu, Sangil Kim, Jerry W. Shan

Version 1 posted 22 November 2023

425

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1

Citations

Materials Chemistry

Working Paper

Large Language Models for Inorganic Synthesis Predictions

Seongmin Kim, Yousung Jung, Joshua Schrier

Version 3 posted 17 June 2024

1,293

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Materials Chemistry

Working Paper

The Effect of Metal d Band Position on Anion Redox in Alkali-Rich Sulfides

Seong Shik Kim, David N. Agyeman-Budu, Joshua J. Zak, Jessica L. Andrews, Jonathan Li, Brent C. Melot, Johanna Nelson Weker, Kimberly A. See

Version 1 posted 21 February 2024

349

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Organic Chemistry

Working Paper

Computationally Augmented Retrosynthesis: Total Synthesis of Paspaline A and Emindole PB

Timothy Newhouse, Daria E. Kim, Joshua E. Zweig

Version 1 posted 13 November 2018

2,074

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Materials Chemistry

Review

Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models

Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loïc M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle Friedler, Joshua Schrier

Version 2 posted 20 July 2022

1,009

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3

Citations

Organic Chemistry

Working Paper

High-throughput identification of crystalline natural products from crude extracts enabled by microarray technology and microED

David Delgadillo, Jessica Burch, Lee Joon Kim, Lygia de Moraes, Kanji Niwa, Jason Williams, Melody Tang, Vincent Lavallo, Bhuwan Chhetri, Christopher Jones, Isabel Hernandez Rodriguez, Joshua Signore, Lewis Marquez, Riya Bhanushali, Madison Greene, Sunmin Woo, Julia Kubanek, Cassandra Quave, Yi Tang, Hosea Nelson

Version 1 posted 27 March 2023

840

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1

Citations

Organic Chemistry

Working Paper

Benchtop 19F NMR Spectroscopy optimized Knorr pyrazole synthesis of Celecoxib and Mavacoxib, 3-(trifluoromethyl) pyrazolyl benzenesulfonamides Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)

Andrew Chyu, Selina Xi, Joshua Kim, Galen Liu, Indalina Chan, Seoyeon Hong, Allen Ke, Thomas Lavery, Anushree Marimuthu, Arjun Akula, Edward Njoo

Version 1 posted 03 October 2024

132

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Materials Chemistry

Working Paper

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

Seongmin Kim, Joshua Schrier, Yousung Jung

Version 2 posted 09 December 2024

541

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10 results in Joshua Kim in Authors: Joshua Kim

Development of an Automated Workflow for Screening the Assembly and Host-Guest Behaviour of Metal-Organic Cages towards Accelerated Discovery

Active learning of ligands that enhance perovskite nanocrystal luminescence

Anomalous Diffusive and Electric-field-driven Ion Transport in Boron-Nitride Nanotubes

Large Language Models for Inorganic Synthesis Predictions

The Effect of Metal d Band Position on Anion Redox in Alkali-Rich Sulfides

Computationally Augmented Retrosynthesis: Total Synthesis of Paspaline A and Emindole PB

Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models

High-throughput identification of crystalline natural products from crude extracts enabled by microarray technology and microED

Benchtop 19F NMR Spectroscopy optimized Knorr pyrazole synthesis of Celecoxib and Mavacoxib, 3-(trifluoromethyl) pyrazolyl benzenesulfonamides Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

10 results in Authors: Joshua Kim