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Chemical Engineering and Industrial Chemistry

Working Paper

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

Version 1 posted 18 May 2023

1,208

Downloads

3

Citations

Physical Chemistry

Working Paper

Rediscovering the particle in a box: Machine learning regression analysis for hypothesis generation in physical chemistry lab

Elizabeth Thrall, Fernando Martinez Lopez, Thomas Egg, Seung Eun Lee, Joshua Schrier, Yijun Zhao

Version 2 posted 03 October 2023

453

Downloads

Biological and Medicinal Chemistry

Working Paper

Accelerating the Discovery of Abiotic Vesicles with AI-Guided Automated Experimentation

Christelle Ekosso, Hao Liu, Avery Glagovich, Dustin Nguyen, Sarah Maurer, Joshua Schrier

Version 1 posted 23 October 2024

82

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Materials Chemistry

Working Paper

Large Language Models for Inorganic Synthesis Predictions

Seongmin Kim, Yousung Jung, Joshua Schrier

Version 3 posted 17 June 2024

1,149

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Chemical Education

Review

Review of Low-cost Self-driving Laboratories: The "Frugal Twin" Concept

Stanley Lo, Sterling Baird, Joshua Schrier, Ben Blaiszik, Nessa Carson, Ian Foster, Andrés Aguilar-Granda, Sergei Kalinin, Benji Maruyama, Maria Politi, Helen Tran, Taylor Sparks, Alán Aspuru-Guzik

Version 2 posted 16 November 2023

1,335

Downloads

1

Citations

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

232

Downloads

Materials Chemistry

Working Paper

Environmental Stability of Crystals: Why Be Greedy When You Can Be Exact?

Qianxiang Ai, Joshua Schrier

Version 1 posted 02 June 2022

205

Downloads

Materials Chemistry

Working Paper

Explainable Synthesizability Prediction of Inorganic Crystal Structures using Large Language Models

Seongmin Kim, Joshua Schrier, Yousung Jung

Version 1 posted 27 September 2024

306

Downloads

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

986

Downloads

3

Citations

Materials Chemistry

Review

In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science

Joshua Schrier, Alexander Norquist, Tonio Buonassisi, Jakoah Brgoch

Version 2 posted 21 August 2023

1,392

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Refine Search

18 results in Joshua Schrier in Authors: Joshua Schrier

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

Rediscovering the particle in a box: Machine learning regression analysis for hypothesis generation in physical chemistry lab

Accelerating the Discovery of Abiotic Vesicles with AI-Guided Automated Experimentation

Large Language Models for Inorganic Synthesis Predictions

Review of Low-cost Self-driving Laboratories: The "Frugal Twin" Concept

Active learning of ligands that enhance perovskite nanocrystal luminescence

Environmental Stability of Crystals: Why Be Greedy When You Can Be Exact?

Explainable Synthesizability Prediction of Inorganic Crystal Structures using Large Language Models

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

In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science

18 results in Authors: Joshua Schrier