Search Results - "Norquist, Alexander J."

Machine-learning-assisted materials discovery using failed experiments by Raccuglia, Paul, Elbert, Katherine C., Adler, Philip D. F., Falk, Casey, Wenny, Malia B., Mollo, Aurelio, Zeller, Matthias, Friedler, Sorelle A., Schrier, Joshua, Norquist, Alexander J.

“…Failed chemical reactions are rarely reported, even though they could still provide information about the bounds on the reaction conditions needed for product…”
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Anthropogenic biases in chemical reaction data hinder exploratory inorganic synthesis by Jia, Xiwen, Lynch, Allyson, Huang, Yuheng, Danielson, Matthew, Lang’at, Immaculate, Milder, Alexander, Ruby, Aaron E., Wang, Hao, Friedler, Sorelle A., Norquist, Alexander J., Schrier, Joshua

“…Most chemical experiments are planned by human scientists and therefore are subject to a variety of human cognitive biases 1 , heuristics 2 and social…”
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In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science by Schrier, Joshua, Norquist, Alexander J., Buonassisi, Tonio, Brgoch, Jakoah

“…Exceptional molecules and materials with one or more extraordinary properties are both technologically valuable and fundamentally interesting, because they…”
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Robot-Accelerated Perovskite Investigation and Discovery by Li, Zhi, Najeeb, Mansoor Ani, Alves, Liana, Sherman, Alyssa Z, Shekar, Venkateswaran, Cruz Parrilla, Peter, Pendleton, Ian M, Wang, Wesley, Nega, Philip W, Zeller, Matthias, Schrier, Joshua, Norquist, Alexander J, Chan, Emory M

“…Metal halide perovskites are a promising class of materials for next-generation photovoltaic and optoelectronic devices. The discovery and full…”
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Active Learning of Ligands That Enhance Perovskite Nanocrystal Luminescence by Kim, Min A., Ai, Qianxiang, Norquist, Alexander J., Schrier, Joshua, Chan, Emory M.

“…Ligands play a critical role in the optical properties and chemical stability of colloidal nanocrystals (NCs), but identifying ligands that can enhance NC…”
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Synthesis of Cyclical Diamine Templated Uranium Sulfates by Norquist, Alexander J, Thomas, Paul M, Doran, Michael B, O'Hare, Dermot

“…The hydrothermal synthesis of uranium sulfates in the presence of a series of structurally related organic templating agents has been investigated. Piperazine,…”
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Variable Dimensionality in the UO2(CH3CO2)2·2H2O/HF/Isonicotinic Acid System:  Synthesis and Structures of Zero-, One-, and Two-Dimensional Uranium Isonicotinates by Kim, Jong-Young, Norquist, Alexander J, O'Hare, Dermot

“…Four new uranium isonicotinate framework solids were synthesized in the UO2(CH3CO2)·2H2O/HF/isonicotinic acid system under hydrothermal conditions. The…”
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A Modern Twist on an Old Measurement: Using Laboratory Automation and Data Science to Determine the Solubility Product of Lead Iodide by Norquist, Alexander J., Jones-Thomson, Gabriel, He, Keqing, Egg, Thomas, Schrier, Joshua

“…Laboratory automation and data science are valuable new skills for all chemists, but most pedagogical activities involving automation to date have focused on…”
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Machine-Learning-Assisted Synthesis of Polar Racemates by Nisbet, Matthew L, Pendleton, Ian M, Nolis, Gene M, Griffith, Kent J, Schrier, Joshua, Cabana, Jordi, Norquist, Alexander J, Poeppelmeier, Kenneth R

“…Racemates have recently received attention as nonlinear optical and piezoelectric materials. Here, a machine-learning-assisted composition space approach was…”
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Predicting compositional changes of organic–inorganic hybrid materials with Augmented CycleGAN by Ai, Qianxiang, Norquist, Alexander J., Schrier, Joshua

“…Despite its simplicity, the composition of a material can be used as input to machine learning models to predict a range of materials properties. However, many…”
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Polymorphism in the metal–organic hybrid (PhCH2NEt3)2[CoBr4]: Synthesis, crystal structures and physico-chemical characterizations by Dgachi, Souad, Turnbull, Mark M., Mezzadri, Francesco, Norquist, Alexander J., Soran, Albert, Boonmak, Jaursup, Nemes, Gabriela, Naïli, Houcine

“…[Display omitted] •X-Ray diffraction showed polymorphic structures.•Hydrogen bonds lead to three-dimensional architectures.•Thermal stabilities of the…”
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catena-Poly[2,2',2''-nitrilo-tris-(ethan-aminium) [tri-μ-oxido-tris-[dioxido-vanadate(V)]] monohydrate] by Chang, Kelvin B, Smith, Matthew D, Zeller, Matthias, Norquist, Alexander J

“…The title compound, {(C6H21N4)[V3O9]·H2O} n , crystallizes as a salt with [trenH3](3+) cations [tren is tris-(2-amino-eth-yl)amine], and one-dimensional…”
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Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning by Li, Zhi, Nega, Philip W, Nellikkal, Mansoor Ani Najeeb, Dun, Chaochao, Zeller, Matthias, Urban, Jeffrey J, Saidi, Wissam A, Schrier, Joshua, Norquist, Alexander J, Chan, Emory M

“…Metal halide perovskite (MHP) derivatives, a promising class of optoelectronic materials, have been synthesized with a range of dimensionalities that govern…”
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Improving Data and Prediction Quality of High-Throughput Perovskite Synthesis with Model Fusion by Tang, Yuanqing, Li, Zhi, Nellikkal, Mansoor Ani Najeeb, Eramian, Hamed, Chan, Emory M, Norquist, Alexander J, Hsu, D. Frank, Schrier, Joshua

“…Combinatorial fusion analysis (CFA) is an approach for combining multiple scoring systems using the rank-score characteristic function and cognitive diversity…”
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Using automated serendipity to discover how trace water promotes and inhibits lead halide perovskite crystal formation by Nega, Philip W., Li, Zhi, Ghosh, Victor, Thapa, Janak, Sun, Shijing, Hartono, Noor Titan Putri, Nellikkal, Mansoor Ani Najeeb, Norquist, Alexander J., Buonassisi, Tonio, Chan, Emory M., Schrier, Joshua

“…Halide perovskite materials have attracted great interest for applications in low-cost, solution-processed solar cells and other optoelectronics applications…”
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Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4 and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O by Welk, Margaret E, Stern, Charlotte L, Poeppelmeier, Kenneth R, Norquist, Alexander J

“…The acentric anion, [VOF4]2-, has been incorporated into two new compounds, [Cu(NC5H5)4VOF4][Cu(NC5H5) 4(H2O)VOF4]·H2O and Cu(NC5H5)4VOF4. Single crystals of…”
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Can Machines “Learn” Halide Perovskite Crystal Formation without Accurate Physicochemical Features? by Pendleton, Ian M, Caucci, Mary K, Tynes, Michael, Dharna, Aaron, Nellikkal, Mansoor Ani Najeeb, Li, Zhi, Chan, Emory M, Norquist, Alexander J, Schrier, Joshua

“…Discovery of new perovskite materials is motivated by a broad range of materials applications and accelerated by recent advances in machine learning (ML). We…”
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Composition space analysis of templated molybdates by Nelson, James H., Johnston, Alexander R., Sarjeant, Amy Narducci, Norquist, Alexander J.

“…A systematic investigation of the factors governing reaction product composition and three-dimensional structure was conducted in the MoO 3/H 2N(CH 2) n NH 2/H…”
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From Racemic Units to Polar Materials by Gautier, Romain, Norquist, Alexander J, Poeppelmeier, Kenneth R

“…A new route is described that enables the design of polar materials using racemic basic building units (BBUs). Λ- and Δ-[Cu(H2O)(bpy)2]2+ complexes in…”
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Composition Space Diagrams for Mixed Transition Metal Oxide Fluorides by Norquist, Alexander J, Heier, Kevin R, Stern, Charlotte L, Poeppelmeier, Kenneth R

“…Composition space diagrams have been used to study phase stability of mixed transition metal oxide fluorides synthesized by hydrothermal reaction of the metal…”
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