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Aditya Nandy

A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models

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Oct 25, 2022
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Low-cost machine learning approach to the prediction of transition metal phosphor excited state properties

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Sep 18, 2022
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Rapid Exploration of a 32.5M Compound Chemical Space with Active Learning to Discover Density Functional Approximation Insensitive and Synthetically Accessible Transitional Metal Chromophores

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Aug 10, 2022
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A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery

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Jul 21, 2022
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Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery

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May 06, 2022
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Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis

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Mar 02, 2022
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Two Wrongs Can Make a Right: A Transfer Learning Approach for Chemical Discovery with Chemical Accuracy

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Jan 11, 2022
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Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery

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Nov 02, 2021
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Deciphering Cryptic Behavior in Bimetallic Transition Metal Complexes with Machine Learning

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Jul 29, 2021
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Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks

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Jun 24, 2021
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