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Materials Chemistry

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Theoretical and Computational Chemistry

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Xiaoli Fern

5 results in Authors: Xiaoli Fern

Theoretical and Computational Chemistry

Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks

Ali Raza, Arni Sturluson, Cory Simon, Xiaoli Fern

Version 1 posted 14 May 2020

831

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Theoretical and Computational Chemistry

PoreMatMod.jl: Julia package for in silico post-synthetic modification of crystal structure models

E. Adrian Henle, Nickolas Gantzler, Praveen K. Thallapally, Xiaoli Z. Fern, Cory M. Simon

Version 1 posted 06 October 2021

374

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Materials Science

Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials

Arni Sturluson, Ali Raza, Grant D. McConachie, Daniel Siderius, Xiaoli Fern, Cory Simon

Version 4 posted 26 October 2021

1,430

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Theoretical and Computational Chemistry

Non-injective gas sensor arrays: identifying undetectable composition changes

Nickolas Gantzler, Adrian Henle, Praveen Thallapally, Xiaoli Fern, Cory Simon

Version 2 posted 16 August 2021

611

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Theoretical and Computational Chemistry

Classifying the toxicity of pesticides to honey bees via support vector machines with random walk graph kernels

Ping Yang, E. Adrian Henle, Xiaoli Fern, Cory M. Simon

Version 4 posted 23 May 2022

773

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