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Nandy, Aditya
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Nandy, Aditya
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Nandy, Aditya
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1
The Effect of Hartree-Fock Exchange on Scaling Relations and Reaction Energetics for C-H Activation Catalysts
by
Vennelakanti, Vyshnavi
,
Nandy
,
Aditya
,
Kulik, Heather J.
Published 2022
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2
New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts
by
Nandy
,
Aditya
,
Duan, Chenru
,
Goffinet, Conrad
,
Kulik, Heather J.
Published 2022
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3
Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts
by
Jia, Haojun
,
Nandy
,
Aditya
,
Liu, Mingjie
,
Kulik, Heather J.
Published 2022
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4
Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models
by
Duan, Chenru
,
Janet, Jon Paul
,
Liu, Fang
,
Nandy
,
Aditya
,
Kulik, Heather Janine
Published 2020
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5
Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry
by
Nandy
,
Aditya
,
Duan, Chenru
,
Janet, Jon Paul
,
Gugler, Stefan O
,
Kulik, Heather Janine
Published 2019
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6
MOFSimplify, machine learning models with extracted stability data of three thousand metal-organic frameworks
by
Nandy
,
Aditya
,
Terrones, Gianmarco
,
Arunachalam, Naveen
,
Duan, Chenru
,
Kastner, David W
,
Kulik, Heather J
Published 2022
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7
MOFSimplify, machine learning models with extracted stability data of three thousand metal-organic frameworks
by
Nandy
,
Aditya
,
Terrones, Gianmarco
,
Arunachalam, Naveen
,
Duan, Chenru
,
Kastner, David W
,
Kulik, Heather J
Published 2022
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8
Machine Learning Accelerates the Discovery of Design Rules and Exceptions in Stable Metal-Oxo Intermediate Formation
by
Nandy
,
Aditya
,
Zhu, Jiazhou
,
Janet, Jon Paul
,
Duan, Chenru
,
Getman, Rachel B.
,
Kulik, Heather Janine
Published 2019
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9
DesDesigning in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry
by
Janet, Jon Paul
,
Liu, Fang
,
Nandy
,
Aditya
,
Duan, Chenru
,
Yang, Tzuhsiung
,
Lin, Sean
,
Kulik, Heather Janine
Published 2021
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10
Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions
by
Taylor, Michael D.
,
Yang, Tzuhsiung
,
Lin, Sean
,
Nandy
,
Aditya
,
Janet, Jon Paul
,
Duan, Chenru
,
Kulik, Heather Janine
Published 2020
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