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Nickolas Gantzler
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PoreMatMod.jl: Julia Package for in Silico Postsynthetic Modification of Crystal Structure Models
EA Henle, N Gantzler, PK Thallapally, XZ Fern, CM Simon
Journal of Chemical Information and Modeling 62 (3), 423-432, 2022
92022
Multi-fidelity Bayesian optimization of covalent organic frameworks for xenon/krypton separations
N Gantzler, A Deshwal, JR Doppa, CM Simon
Digital Discovery 2 (6), 1937-1956, 2023
62023
Computation-informed optimization of Ni (PyC) 2 functionalization for noble gas separations
N Gantzler, MB Kim, A Robinson, MW Terban, S Ghose, RE Dinnebier, ...
Cell Reports Physical Science 3 (9), 2022
52022
Non-injective gas sensor arrays: identifying undetectable composition changes
N Gantzler, EA Henle, PK Thallapally, XZ Fern, CM Simon
Journal of Physics: Condensed Matter 33 (46), 464003, 2021
42021
Computation-informed optimization of Ni (PyC) ₂ functionalization for noble gas separations
N Gantzler, MB Kim, A Robinson, MW Terban, S Ghose, RE Dinnebier, ...
22021
Identifying gas composition changes to which non-injective gas sensor arrays are unresponsive
N Gantzler, A Henle, P Thallapally, X Fern, C Simon
12021
Adsorbed xenon propellant storage: are nanoporous materials worth the weight?
MT Huynh, N Gantzler, S Hough, D Roundy, PK Thallapally, CM Simon
Materials Advances 2 (12), 4081-4092, 2021
12021
An alternative approach to the extended Drude model
NJ Gantzler, SV Dordevic
Journal of Applied Spectroscopy 85, 361-364, 2018
12018
Designing Selective Nanoporous Materials for VOC Capture Applied to Breath Diagnostics: Insights from Simulation and Experiments
S Bobbitt, N Gantzler, ME Chandross, J Sammon, E Sikma, EN Coker, ...
2023 AIChE Annual Meeting, 2023
2023
In silico screening of nanoporous materials for gas sensing and separation
N Gantzler
2023
Designing highly-selective sorbents for diagnosing respiratory disease via breath analysis.
N Bobbitt, D Sava Gallis, J Sammon, M Chandross, J Deneff, R Sikma, ...
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2022
2022
Rapid, agile, and portable diagnostics based on breath biomarkers using highly-selective sorbents.
N Bobbitt, N Gantzler, M Chandross, J Sammon, D Sava Gallis
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2022
2022
Optical properties of SrTiO and LaSrAlO
NJ Gantzler, SV Dordevic
Bulletin of the American Physical Society 63, 2018
2018
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Articles 1–13