Search Results - "Reinhart, Wesley"

Large Language Models as Molecular Design Engines by Bhattacharya, Debjyoti, Cassady, Harrison J., Hickner, Michael A., Reinhart, Wesley F.

“…The design of small molecules is crucial for technological applications ranging from drug discovery to energy storage. Due to the vast design space available…”
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Crack Detection in Images of Masonry Using CNNs by Hallee, Mitchell J., Napolitano, Rebecca K., Reinhart, Wesley F., Glisic, Branko

“…While there is a significant body of research on crack detection by computer vision methods in concrete and asphalt, less attention has been given to masonry…”
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Large language models design sequence-defined macromolecules via evolutionary optimization by Reinhart, Wesley F., Statt, Antonia

“…We demonstrate the ability of a large language model to perform evolutionary optimization for materials discovery. Anthropic’s Claude 3.5 model outperforms an…”
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Opportunities and Challenges for Inverse Design of Nanostructures with Sequence Defined Macromolecules by Reinhart, Wesley F, Statt, Antonia

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The Odijk Regime in Slits by Tree, Douglas R, Reinhart, Wesley F, Dorfman, Kevin D

“…De Gennes’ blob theory has been remarkably successful at describing weakly confined polymers in both slits and channels, and comparable results surround…”
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Comparing forward and inverse design paradigms: A case study on refractory high-entropy alloys by Debnath, Arindam, Raman, Lavanya, Li, Wenjie, Krajewski, Adam M., Ahn, Marcia, Lin, Shuang, Shang, Shunli, Beese, Allison M., Liu, Zi-Kui, Reinhart, Wesley F.

“…The rapid design of advanced materials is a topic of great scientific interest. The conventional “forward” paradigm of materials design involves evaluating…”
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Distribution of distances between DNA barcode labels in nanochannels close to the persistence length by Reinhart, Wesley F, Reifenberger, Jeff G, Gupta, Damini, Muralidhar, Abhiram, Sheats, Julian, Cao, Han, Dorfman, Kevin D

“…We obtained experimental extension data for barcoded E. coli genomic DNA molecules confined in nanochannels from 40 nm to 51 nm in width. The resulting data…”
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Emissions of C6-C8 aromatic compounds in the United States: Constraints from tall tower and aircraft measurements by Hu, Lu, Millet, Dylan B., Baasandorj, Munkhbayar, Griffis, Timothy J., Travis, Katherine R., Tessum, Christopher W., Marshall, Julian D., Reinhart, Wesley F., Mikoviny, Tomas, Müller, Markus, Wisthaler, Armin, Graus, Martin, Warneke, Carsten, de Gouw, Joost

“…We present two full years of continuous C6–C8 aromatic compound measurements by PTR‐MS at the KCMP tall tower (Minnesota, US) and employ GEOS‐Chem nested grid…”
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Crystal growth characterization of WSe2 thin film using machine learning by Moses, Isaiah A., Wu, Chengyin, Reinhart, Wesley F.

“…Materials characterization remains a labor-intensive process, with a large amount of expert time required to post-process and analyze micrographs. As a result,…”
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Entropic depletion of DNA in triangular nanochannels by Reinhart, Wesley F., Tree, Douglas R., Dorfman, Kevin D.

“…Using Monte Carlo simulations of a touching-bead model of double-stranded DNA, we show that DNA extension is enhanced in isosceles triangular nanochannels…”
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Unsupervised learning of atomic environments from simple features by Reinhart, Wesley F.

“…[Display omitted] I present a strategy for unsupervised manifold learning on local atomic environments in molecular simulations based on simple rotation- and…”
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Smart cities built with smart materials by Napolitano, Rebecca, Reinhart, Wesley, Gevaudan, Juan Pablo

“…Sensors and actuators that respond locally avoid overburdening data analysis networks The Smart City Index ( 1 ) defines a smart city as “an urban setting that…”
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Investigating representation schemes for surrogate modeling of High Entropy Alloys by Debnath, Arindam, Reinhart, Wesley F.

“…The design of new High Entropy Alloys that can achieve exceptional mechanical properties is presently of great interest to the materials science community…”
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Quantitative analysis of MoS2 thin film micrographs with machine learning by Moses, Isaiah A., Reinhart, Wesley F.

“…Isolating the features associated with different materials growth conditions is important to facilitate the tuning of these conditions for effective materials…”
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Quantitative analysis of MoS 2 thin film micrographs with machine learning by Moses, Isaiah A., Reinhart, Wesley F.

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Displacement-based structural identification using differentiable physics by Rahnamay Farnod, Borna, Reinhart, Wesley F., Napolitano, Rebecca K.

“…Infrastructure is at constant risk of failure due to internal or hidden damage resulting from environmental conditions, variability in building materials, and…”
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Data-driven evaluation of building materials using Ground Penetrating Radar by Alam, Ahmed Nirjhar, Reinhart, Wesley F., Napolitano, Rebecca K.

“…Ground Penetrating Radar is a widely used technology in the nondestructive evaluation and monitoring of structures during repair and maintenance phases. Within…”
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Data-driven inverse design of MoNbTiVWZr refractory multicomponent alloys: Microstructure and mechanical properties by Raman, Lavanya, Debnath, Arindam, Furton, Erik, Lin, Shuang, Krajewski, Adam, Ghosh, Subrata, Liu, Na, Ahn, Marcia, Poudel, Bed, Shang, Shunli, Priya, Shashank, Liu, Zi-Kui, Beese, Allison M., Reinhart, Wesley, Li, Wenjie

“…Multicomponent refractory alloys have the potential to operate in high-temperature environments. Alloys with heterogeneous/composite microstructure exhibit an…”
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nimCSO: A Nim package for Compositional Space Optimization by Krajewski, Adam M., Debnath, Arindam, Reinhart, Wesley F., Beese, Allison M., Liu, Zi-Kui

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Design and validation of refractory alloys using machine learning, CALPHAD, and experiments by Li, Wenjie, Raman, Lavanya, Debnath, Arindam, Ahn, Marcia, Lin, Shuang, Krajewski, Adam M., Shang, Shunli, Priya, Shashank, Reinhart, Wesley F., Liu, Zi-Kui, Beese, Allison M.

“…Refractory multicomponent alloys (RMCAs) have garnered attention as potential materials for high-temperature structural applications, due to their excellent…”
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