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Materials Chemistry

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Nickolas Gantzler

5 results in Authors: Nickolas Gantzler

Materials Science

Multi-fidelity Bayesian Optimization of Covalent Organic Frameworks for Xenon/Krypton Separations

Nickolas Gantzler, Aryan Deshwal, Janardhan Rao Doppa, Cory Simon

Version 2 posted 26 June 2023

595

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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

442

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Materials Science

Adsorbed Xenon Propellant Storage: Are Nanoporous Materials Worth the Weight?

Melanie T. Huynh, Nickolas Gantzler, Samuel Hough, David Roundy, Praveen K. Thallapally, Cory M. Simon

Version 1 posted 29 January 2021

473

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Materials Chemistry

Computation-informed optimization of Ni(PyC)₂ functionalization for noble gas separations

Nickolas Gantzler, Min-Bum Kim, Alexander Robinson, Maxwell W. Terban, Sanjit Ghose, Robert E. Dinnebier, Arthur Henry York, Davide Tiana, Cory M. Simon, Praveen K. Thallapally

Version 1 posted 03 December 2021

470

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2

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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

728

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