Publications by authors named "Paulette Clancy"

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Low-energy pathways lead to self-healing defects in CsPbBr.
Kumar Miskin, Yi Cao, Madaline Marland, Farhan Shaikh, David T Moore, Paulette Clancy

Phys Chem Chem Phys· July 2025

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Rational design of optimal bimetallic and trimetallic nickel-based single-atom alloys for bio-oil upgrading to hydrogen.
Seba AlAreeqi, Connor Ganley, Daniel Bahamon, Kyriaki Polychronopoulou, Paulette Clancy

Nat Commun· March 2025

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Real-time tracking of structural evolution in 2D MXenes using theory-enhanced machine learning.
Jonathan D Hollenbach, Cassandra M Pate, Haili Jia, James L Hart, Paulette Clancy

Sci Rep· August 2024

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PAL 2.0: a physics-driven bayesian optimization framework for material discovery.
Maitreyee Sharma Priyadarshini, Oluwaseun Romiluyi, Yiran Wang, Kumar Miskin, Connor Ganley, Paulette Clancy

Mater Horiz· February 2024

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Transferable Force Field for Gallium Nitride Crystal Growth from the Melt Using On-The-Fly Active Learning.
Xiangyu Chen, William Shao, Nam Q Le, Paulette Clancy

J Chem Theory Comput· November 2023

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A multiscale approach to uncover the self-assembly of ligand-covered palladium nanocubes.
Xiangyu Chen, Thi Vo, Paulette Clancy

Soft Matter· November 2023

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Blended Conjugated Host and Unconjugated Dopant Polymers Towards N-type All-Polymer Conductors and High-ZT Thermoelectrics.
Jinfeng Han, Yufeng Jiang, Emma Tiernan, Connor Ganley, Yunjia Song, Paulette Clancy

Angew Chem Int Ed Engl· June 2023

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Machine Learning Approach to Enable Spectral Imaging Analysis for Particularly Complex Nanomaterial Systems.
Haili Jia, Canhui Wang, Chao Wang, Paulette Clancy

ACS Nano· January 2023

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A comprehensive picture of roughness evolution in organic crystalline growth: the role of molecular aspect ratio.
Jordan T Dull, Xiangyu Chen, Holly M Johnson, Maria Clara Otani, Frank Schreiber, Paulette Clancy

Mater Horiz· October 2022

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Untying the Cesium "Not": Cesium-Iodoplumbate Complexation in Perovskite Solution-Processing Inks Has Implications for Crystallization.
Yannick Eatmon, Oluwaseun Romiluyi, Connor Ganley, Ruihao Ni, István Pelczer, Paulette Clancy

J Phys Chem Lett· July 2022

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Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence.
Andrew W Ruttinger, Divya Sharma, Paulette Clancy

J Chem Theory Comput· May 2022

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3,4,5-Trimethoxy Substitution on an N-DMBI Dopant with New N-Type Polymers: Polymer-Dopant Matching for Improved Conductivity-Seebeck Coefficient Relationship.
Jinfeng Han, Arlene Chiu, Connor Ganley, Patty McGuiggan, Susanna M Thon, Paulette Clancy

Angew Chem Int Ed Engl· December 2021

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Molecular modeling of interfacial layer-by-layer assembly towards functionalized capsule materials.
Andrew W Ruttinger, Paulette Clancy

Nanoscale· December 2021

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modeling of Near-Edge EELS spectra for chemisorbed molecules.
Haili Jia, Canhui Wang, Chao Wang, Paulette Clancy

Nanotechnology· June 2021

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Transferable Molecular Model of Woven Covalent Organic Framework Materials.
Yaset M Acevedo, Nikita Sengar, Meng Min, Paulette Clancy

ACS Appl Mater Interfaces· October 2020

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The Role of Dimer Formation in the Nucleation of Superlattice Transformations and Its Impact on Disorder.
Isaiah Y Chen, Jessica Cimada daSilva, Daniel M Balazs, Michelle A Smeaton, Lena F Kourkoutis, Paulette Clancy

ACS Nano· September 2020

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Decomplexation as a rate limitation in the thiol-Michael addition of N-acrylamides.
Joseph S Brown, Andrew W Ruttinger, Akash J Vaidya, Christopher A Alabi, Paulette Clancy

Org Biomol Chem· August 2020

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Balancing Multiple Goals and Making It Work for Materials Research.
Paulette Clancy

ACS Cent Sci· April 2020

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A Quantitative Metric for the Design of Selective Supercritical CO Extraction of Lithium from Geothermal Brine.
Andrew W Ruttinger, Arna Pálsdóttir, Jefferson W Tester, Paulette Clancy

ChemSusChem· August 2019

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Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAs.
Mardochee Reveil, Hsien-Lien Huang, Huang-Ta Chen, Jason Liu, Michael O Thompson, Paulette Clancy

Langmuir· October 2017

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Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexist.
Mardochee Reveil, Victoria C Sorg, Emily R Cheng, Taha Ezzyat, Paulette Clancy

Rev Sci Instrum· September 2017

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Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization.
Henry C Herbol, James Stevenson, Paulette Clancy

J Chem Theory Comput· July 2017

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Synthesis and Solution-Phase Characterization of Sulfonated Oligothioetheramides.
Joseph S Brown, Yaset M Acevedo, Grace D He, Jack H Freed, Paulette Clancy

Macromolecules· January 2017

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Ambipolar Transport in Solution-Synthesized Graphene Nanoribbons.
Jia Gao, Fernando J Uribe-Romo, Jonathan D Saathoff, Hasan Arslan, Colin R Crick, Paulette Clancy

ACS Nano· April 2016

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Multiscale Simulation and Modeling of Multilayer Heteroepitactic Growth of C60 on Pentacene.
Yaset M Acevedo, Rebecca A Cantrell, Philip G Berard, Donald L Koch, Paulette Clancy

Langmuir· March 2016

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