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Naveen Arunachalam
Naveen Arunachalam
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Ground state
Density functional theory
Delocalized electron
Spin states
3
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10
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MOFSimplify: Machine Learning Models with Extracted Stability Data of Three Thousand Metal-Organic Frameworks.
2021
arXiv: Materials Science
Aditya Nandy
G. Terrones
Naveen Arunachalam
Chenru Duan
D.W. Kastner
Heather J. Kulik
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Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery.
2021
arXiv: Chemical Physics
Daniel R. Harper
Aditya Nandy
Naveen Arunachalam
Chenru Duan
Jon Paul Janet
Heather J. Kulik
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Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics
2020
Physical Chemistry Chemical Physics
Aditya Nandy
Daniel B. K. Chu
Daniel R. Harper
Chenru Duan
Naveen Arunachalam
Yael Cytter
Heather J. Kulik
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Citations (6)
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