Publications by authors named "Baron Peters"

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Revisiting shooting point Monte Carlo methods for transition path sampling.
Sebastian Falkner, Alessandro Coretti, Baron Peters, Peter G Bolhuis, Christoph Dellago

J Chem Phys· July 2025

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Population Balance Models for Catalytic Depolymerization: From Elementary Steps to Multiphase Reactors.
Lela K Manis, Jiankai Ge, Changhae Andrew Kim, Emmanuel Ejiogu, Ziqiu Chen, Baron Peters

Acc Chem Res· June 2025

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Antifreeze Proteins Bind Irreversibly to Ice, so Why Does Thermal Hysteresis Depend on Bulk Concentration?
Hossam Farag, Baron Peters

J Phys Chem Lett· March 2025

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A population balance model for the kinetics of covalent organic framework synthesis.
Howard Weatherspoon, Baron Peters

J Chem Phys· April 2024

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Population Balance Equations for Reactive Separation in Polymer Upcycling.
Changhae Andrew Kim, Chinmay A Sahasrabudhe, Yi-Yu Wang, Ryan Yappert, Andreas Heyden, Baron Peters

Langmuir· February 2024

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Engulfment Avalanches and Thermal Hysteresis for Antifreeze Proteins on Supercooled Ice.
Hossam Farag, Baron Peters

J Phys Chem B· June 2023

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Site-Averaged Kinetics: Importance Learning for Multistep Reactions on Amorphous Supports.
Armin Shayesteh Zadeh, Salman A Khan, Craig Vandervelden, Baron Peters

J Chem Theory Comput· May 2023

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Free energy barriers for anti-freeze protein engulfment in ice: Effects of supercooling, footprint size, and spatial separation.
Hossam Farag, Baron Peters

J Chem Phys· March 2023

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Broken bond models, magic-sized clusters, and nucleation theory in nanoparticle synthesis.
Howard Weatherspoon, Baron Peters

J Chem Phys· March 2023

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Zirconium-Catalyzed C-H Alumination of Polyolefins, Paraffins, and Methane.
Uddhav Kanbur, Alexander L Paterson, Jessica Rodriguez, Andrew L Kocen, Ryan Yappert, Baron Peters

J Am Chem Soc· February 2023

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Oriented attachment kinetics for rod-like particles at a flat surface: Buffon's needle at the nanoscale.
Kartik Kamat, Pavithra M Naullage, Valeria Molinero, Baron Peters

J Chem Phys· December 2022

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Kinetic coefficient for ice-water interface from simulated non-equilibrium relaxation at coexistence.
Ravi Kumar Reddy Addula, Baron Peters

J Chem Phys· November 2022

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Crystal nucleation: Rare made common and captured by Raman.
Baron Peters

Proc Natl Acad Sci U S A· May 2022

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Persistent nucleation and size dependent attachment kinetics produce monodisperse PbS nanocrystals.
Benjamin Abécassis, Matthew W Greenberg, Vivekananda Bal, Brandon M McMurtry, Michael P Campos, Baron Peters

Chem Sci· May 2022

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Size-Controlled Nanoparticles Embedded in a Mesoporous Architecture Leading to Efficient and Selective Hydrogenolysis of Polyolefins.
Xun Wu, Akalanka Tennakoon, Ryan Yappert, Michaela Esveld, Magali S Ferrandon, Baron Peters

J Am Chem Soc· March 2022

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Diffusion Attachment Model for Long Helical Antifreeze Proteins to Ice.
Kartik Kamat, Pavithra M Naullage, Valeria Molinero, Baron Peters

Biomacromolecules· February 2022

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Multiscale Models for Fibril Formation: Rare Events Methods, Microkinetic Models, and Population Balances.
Armin Shayesteh Zadeh, Baron Peters

Life (Basel)· June 2021

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Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants.
Vikram Khanna, Jamshed Anwar, Daan Frenkel, Michael F Doherty, Baron Peters

J Chem Phys· April 2021

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Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria.
Vikram Khanna, Michael F Doherty, Baron Peters

J Chem Phys· December 2020

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Diabat method for polymorph free energies: Extension to molecular crystals.
Kartik Kamat, Rui Guo, Susan M Reutzel-Edens, Sarah L Price, Baron Peters

J Chem Phys· December 2020

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Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalyst.
Craig A Vandervelden, Salman A Khan, Baron Peters

J Chem Phys· December 2020

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Polyethylene upcycling to long-chain alkylaromatics by tandem hydrogenolysis/aromatization.
Fan Zhang, Manhao Zeng, Ryan D Yappert, Jiakai Sun, Yu-Hsuan Lee, Baron Peters

Science· October 2020

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How fluxional reactants limit the accuracy/efficiency of infrequent metadynamics.
Salman A Khan, Bradley M Dickson, Baron Peters

J Chem Phys· August 2020

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Solvent reaction coordinate for an S2 reaction.
Christian Leitold, Christopher J Mundy, Marcel D Baer, Gregory K Schenter, Baron Peters

J Chem Phys· July 2020

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Tandem Catalysts for Polyethylene Upcycling: A Simple Kinetic Model.
Damien Guironnet, Baron Peters

J Phys Chem A· May 2020

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